CID 21151255

Caprylamidopropylamine oxide

Structural Information

Molecular Formula
C13H28N2O2
SMILES
CCCCCCCC(=O)NCCC[N+](C)(C)[O-]
InChI
InChI=1S/C13H28N2O2/c1-4-5-6-7-8-10-13(16)14-11-9-12-15(2,3)17/h4-12H2,1-3H3,(H,14,16)
InChIKey
CRJZSZDHPVDIJD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(octanoylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.21507 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.22235 162.3
[M+Na]+ 267.20429 165.6
[M-H]- 243.20779 161.6
[M+NH4]+ 262.24889 179.4
[M+K]+ 283.17823 159.7
[M+H-H2O]+ 227.21233 161.4
[M+HCOO]- 289.21327 184.5
[M+CH3COO]- 303.22892 194.1
[M+Na-2H]- 265.18974 167.7
[M]+ 244.21452 163.4
[M]- 244.21562 163.4
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