CID 6912976

Einecs 262-863-1

Structural Information

Molecular Formula
C24H47N2O
SMILES
CCCCCCCC/C=C\CCCCCCCC1=NCC[N+]1(CC)CCO
InChI
InChI=1S/C24H47N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27/h11-12,27H,3-10,13-23H2,1-2H3/q+1/b12-11-
InChIKey
NCSLDIODEJROGP-QXMHVHEDSA-N
Compound name
2-[1-ethyl-2-[(Z)-heptadec-8-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.36884 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.37612 202.7
[M+Na]+ 402.35806 204.1
[M-H]- 378.36156 199.6
[M+NH4]+ 397.40266 215.2
[M+K]+ 418.33200 192.5
[M+H-H2O]+ 362.36610 196.7
[M+HCOO]- 424.36704 217.4
[M+CH3COO]- 438.38269 213.8
[M+Na-2H]- 400.34351 202.3
[M]+ 379.36829 206.0
[M]- 379.36939 206.0
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.