CID 160948

(3-lauramidopropyl)trimethylammonium methyl sulfate

Structural Information

Molecular Formula
C18H39N2O
SMILES
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C
InChI
InChI=1S/C18H38N2O/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4/h5-17H2,1-4H3/p+1
InChIKey
YBZZUKKRRGVYQU-UHFFFAOYSA-O
Compound name
3-(dodecanoylamino)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

519
Patents

299.30624 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.31352 180.6
[M+Na]+ 322.29546 182.1
[M-H]- 298.29896 180.6
[M+NH4]+ 317.34006 196.2
[M+K]+ 338.26940 174.7
[M+H-H2O]+ 282.30350 176.5
[M+HCOO]- 344.30444 201.5
[M+CH3COO]- 358.32009 210.5
[M+Na-2H]- 320.28091 184.3
[M]+ 299.30569 184.5
[M]- 299.30679 184.5
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

patents stripe