CID 62451

Octyldimethylamine oxide

Structural Information

Molecular Formula
C10H23NO
SMILES
CCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3
InChIKey
RSVIRMFSJVHWJV-UHFFFAOYSA-N
Compound name
N,N-dimethyloctan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

7211
Patents

173.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.18524 143.3
[M+Na]+ 196.16718 148.8
[M-H]- 172.17068 143.3
[M+NH4]+ 191.21178 163.9
[M+K]+ 212.14112 143.7
[M+H-H2O]+ 156.17522 143.7
[M+HCOO]- 218.17616 166.1
[M+CH3COO]- 232.19181 179.8
[M+Na-2H]- 194.15263 151.1
[M]+ 173.17741 144.3
[M]- 173.17851 144.3
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