CID 13673201

1-(azepan-1-yl)-2-hydroxyethan-1-one

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCCN(CC1)C(=O)CO
InChI
InChI=1S/C8H15NO2/c10-7-8(11)9-5-3-1-2-4-6-9/h10H,1-7H2
InChIKey
WLAFVVDXJLJATJ-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)-2-hydroxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

157.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 129.6
[M+Na]+ 180.099498 132.1
[M-H]- 156.103004 130.7
[M+NH4]+ 175.144103 146.8
[M+K]+ 196.073438 135.6
[M+H-H2O]+ 140.107540 123.6
[M+HCOO]- 202.108481 146.4
[M+CH3COO]- 216.124131 175.0
[M+Na-2H]- 178.084946 133.6
[M]+ 157.10973142 122.0
[M]- 157.11082858 122.0
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