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

71
Patents

159.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.16959 138.5
[M+Na]+ 182.15153 144.4
[M-H]- 158.15503 138.6
[M+NH4]+ 177.19613 159.6
[M+K]+ 198.12547 139.5
[M+H-H2O]+ 142.15957 139.1
[M+HCOO]- 204.16051 161.7
[M+CH3COO]- 218.17616 176.7
[M+Na-2H]- 180.13698 146.8
[M]+ 159.16176 139.1
[M]- 159.16286 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