CID 10879277

1-[(2s)-piperidin-2-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
CC(=O)[C@@H]1CCCCN1
InChI
InChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3/t7-/m0/s1
InChIKey
SHTKZOSFNVMLJZ-ZETCQYMHSA-N
Compound name
1-[(2S)-piperidin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

127.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 128.1
[M+Na]+ 150.08894 132.8
[M-H]- 126.09244 128.0
[M+NH4]+ 145.13354 147.8
[M+K]+ 166.06288 131.5
[M+H-H2O]+ 110.09698 122.2
[M+HCOO]- 172.09792 145.5
[M+CH3COO]- 186.11357 168.3
[M+Na-2H]- 148.07439 132.6
[M]+ 127.09917 121.6
[M]- 127.10027 121.6
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