CID 60150293

4-(aminomethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
C1CNC(=O)CC1CN
InChI
InChI=1S/C6H12N2O/c7-4-5-1-2-8-6(9)3-5/h5H,1-4,7H2,(H,8,9)
InChIKey
BSSUPYKXVPAKLX-UHFFFAOYSA-N
Compound name
4-(aminomethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

128.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 127.3
[M+Na]+ 151.084178 132.8
[M-H]- 127.087684 127.1
[M+NH4]+ 146.128783 146.7
[M+K]+ 167.058118 130.8
[M+H-H2O]+ 111.092220 121.3
[M+HCOO]- 173.093161 146.4
[M+CH3COO]- 187.108811 169.7
[M+Na-2H]- 149.069626 132.1
[M]+ 128.09441142 119.7
[M]- 128.09550858 119.7
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