CID 105298

3-lauroylamidopropyl morpholine oxide

Structural Information

Molecular Formula
C19H38N2O3
SMILES
CCCCCCCCCCCC(=O)NCCC[N+]1(CCOCC1)[O-]
InChI
InChI=1S/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-12-19(22)20-13-11-14-21(23)15-17-24-18-16-21/h2-18H2,1H3,(H,20,22)
InChIKey
XEQRTVQAPDIKOM-UHFFFAOYSA-N
Compound name
N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.28824 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.29552 189.9
[M+Na]+ 365.27746 189.2
[M-H]- 341.28096 188.3
[M+NH4]+ 360.32206 201.1
[M+K]+ 381.25140 182.3
[M+H-H2O]+ 325.28550 186.6
[M+HCOO]- 387.28644 204.3
[M+CH3COO]- 401.30209 205.0
[M+Na-2H]- 363.26291 192.7
[M]+ 342.28769 188.4
[M]- 342.28879 188.4
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