CID 6446864

Brn 0809171

Structural Information

Molecular Formula
C21H38N2O
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CCO)/C)/C)C
InChI
InChI=1S/C21H38N2O/c1-19(2)7-5-8-20(3)9-6-10-21(4)11-12-22-13-15-23(16-14-22)17-18-24/h7,9,11,24H,5-6,8,10,12-18H2,1-4H3/b20-9+,21-11+
InChIKey
XEUOMGQOFOKWMS-SICDNOCMSA-N
Compound name
2-[4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.30568 192.2
[M+Na]+ 357.28762 192.3
[M-H]- 333.29112 188.8
[M+NH4]+ 352.33222 202.4
[M+K]+ 373.26156 187.2
[M+H-H2O]+ 317.29566 183.5
[M+HCOO]- 379.29660 202.1
[M+CH3COO]- 393.31225 212.4
[M+Na-2H]- 355.27307 186.3
[M]+ 334.29785 188.9
[M]- 334.29895 188.9
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.