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

894
Patents

327.35013 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.357406 195.2
[M+Na]+ 350.339348 196.1
[M-H]- 326.342854 193.0
[M+NH4]+ 345.383953 212.3
[M+K]+ 366.313288 188.0
[M+H-H2O]+ 310.347390 193.3
[M+HCOO]- 372.348331 231.1
[M+CH3COO]- 386.363981 213.3
[M+Na-2H]- 348.324796 197.0
[M]+ 327.34958142 200.3
[M]- 327.35067858 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