CID 160948

10595-49-0

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

447
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 179.1
[M+Na]+ 322.29546 187.5
[M+NH4]+ 317.34006 186.1
[M+K]+ 338.26940 181.0
[M-H]- 298.29896 180.6
[M+Na-2H]- 320.28091 181.4
[M]+ 299.30569 180.8
[M]- 299.30679 180.8
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