CID 5189203

N,n-dimethylheptylamine n-oxide hydrate

Structural Information

Molecular Formula
C9H21NO
SMILES
CCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C9H21NO/c1-4-5-6-7-8-9-10(2,3)11/h4-9H2,1-3H3
InChIKey
SOVWKKYLBJMOPM-UHFFFAOYSA-N
Compound name
N,N-dimethylheptan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

159.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.169586 138.5
[M+Na]+ 182.151528 144.4
[M-H]- 158.155034 138.6
[M+NH4]+ 177.196133 159.6
[M+K]+ 198.125468 139.5
[M+H-H2O]+ 142.159570 139.1
[M+HCOO]- 204.160511 161.7
[M+CH3COO]- 218.176161 176.7
[M+Na-2H]- 180.136976 146.8
[M]+ 159.16176142 139.1
[M]- 159.16285858 139.1
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