CID 6436960

Einecs 265-384-6

Structural Information

Molecular Formula
C24H49NO2
SMILES
CCCCCCCCCC/C=C/CCCCCCN(CC(C)O)CC(C)O
InChI
InChI=1S/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h13-14,23-24,26-27H,4-12,15-22H2,1-3H3/b14-13+
InChIKey
XAIZPOWRIVCNAG-BUHFOSPRSA-N
Compound name
1-[2-hydroxypropyl-[(E)-octadec-7-enyl]amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.37634 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.38362 211.3
[M+Na]+ 406.36556 209.3
[M-H]- 382.36906 206.8
[M+NH4]+ 401.41016 222.0
[M+K]+ 422.33950 205.3
[M+H-H2O]+ 366.37360 203.3
[M+HCOO]- 428.37454 226.3
[M+CH3COO]- 442.39019 228.0
[M+Na-2H]- 404.35101 204.7
[M]+ 383.37579 216.7
[M]- 383.37689 216.7
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.