CID 6448073

80762-85-2

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]+ 352.320996 198.5
[M+Na]+ 374.302938 198.6
[M-H]- 350.306444 195.2
[M+NH4]+ 369.347543 210.8
[M+K]+ 390.276878 195.0
[M+H-H2O]+ 334.310980 192.2
[M+HCOO]- 396.311921 212.2
[M+CH3COO]- 410.327571 219.7
[M+Na-2H]- 372.288386 192.8
[M]+ 351.31317142 200.5
[M]- 351.31426858 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.