CID 6448073

1-(t-butylamino)-3-((3,7,11-trimethyl-2,6,10-dodecatrienyl)oxy)-2-propanol maleate

Structural Information

Molecular Formula
C22H41NO2
SMILES
CC(=CCC/C(=C/CC/C(=C/COCC(CNC(C)(C)C)O)/C)/C)C
InChI
InChI=1S/C22H41NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-17-21(24)16-23-22(5,6)7/h10,12,14,21,23-24H,8-9,11,13,15-17H2,1-7H3/b19-12+,20-14+
InChIKey
MGDPVZPFGTZDIP-LCAIAVFMSA-N
Compound name
1-(tert-butylamino)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.31372 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.32100 198.5
[M+Na]+ 374.30294 198.6
[M-H]- 350.30644 195.2
[M+NH4]+ 369.34754 210.8
[M+K]+ 390.27688 195.0
[M+H-H2O]+ 334.31098 192.2
[M+HCOO]- 396.31192 212.2
[M+CH3COO]- 410.32757 219.7
[M+Na-2H]- 372.28839 192.8
[M]+ 351.31317 200.5
[M]- 351.31427 200.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.