CID 452641

Cp-81

Structural Information

Molecular Formula
C25H54NO3
SMILES
CCCCCCCCCCCCCCCCCCOCC[N+](C)(C)CC(CO)O
InChI
InChI=1S/C25H54NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-22-20-26(2,3)23-25(28)24-27/h25,27-28H,4-24H2,1-3H3/q+1
InChIKey
NKTMULHSCQCMGG-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl-dimethyl-(2-octadecoxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.41037 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.41765 230.1
[M+Na]+ 439.39959 234.8
[M-H]- 415.40309 219.0
[M+NH4]+ 434.44419 226.7
[M+K]+ 455.37353 205.5
[M+H-H2O]+ 399.40763 211.8
[M+HCOO]- 461.40857 241.0
[M+CH3COO]- 475.42422 226.4
[M+Na-2H]- 437.38504 215.8
[M]+ 416.40982 228.3
[M]- 416.41092 228.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.