CID 59657951

1909319-16-9

Structural Information

Molecular Formula
C6H12N2O
SMILES
C1CC(=O)NCCC1N
InChI
InChI=1S/C6H12N2O/c7-5-1-2-6(9)8-4-3-5/h5H,1-4,7H2,(H,8,9)
InChIKey
LXBNYTBIHFKCEQ-UHFFFAOYSA-N
Compound name
5-aminoazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

128.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 123.9
[M+Na]+ 151.08418 131.3
[M+NH4]+ 146.12878 130.8
[M+K]+ 167.05812 128.4
[M-H]- 127.08768 124.5
[M+Na-2H]- 149.06963 128.2
[M]+ 128.09441 124.7
[M]- 128.09551 124.7
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