CID 93529

1-decanamine, n-decyl-n-methyl-, n-oxide

Structural Information

Molecular Formula
C21H45NO
SMILES
CCCCCCCCCC[N+](C)(CCCCCCCCCC)[O-]
InChI
InChI=1S/C21H45NO/c1-4-6-8-10-12-14-16-18-20-22(3,23)21-19-17-15-13-11-9-7-5-2/h4-21H2,1-3H3
InChIKey
GATZCJINVHTSTO-UHFFFAOYSA-N
Compound name
N-decyl-N-methyldecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

832
Patents

327.35013 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.35741 195.2
[M+Na]+ 350.33935 196.1
[M-H]- 326.34285 193.0
[M+NH4]+ 345.38395 212.3
[M+K]+ 366.31329 188.0
[M+H-H2O]+ 310.34739 193.3
[M+HCOO]- 372.34833 231.1
[M+CH3COO]- 386.36398 213.3
[M+Na-2H]- 348.32480 197.0
[M]+ 327.34958 200.3
[M]- 327.35068 200.3
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

patents stripe