CID 55290592

3-amino-6-methylpiperidin-2-one

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC1CCC(C(=O)N1)N
InChI
InChI=1S/C6H12N2O/c1-4-2-3-5(7)6(9)8-4/h4-5H,2-3,7H2,1H3,(H,8,9)
InChIKey
DBJYIUVEEKMLRK-UHFFFAOYSA-N
Compound name
3-amino-6-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

128.09496 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 127.3
[M+Na]+ 151.08418 133.8
[M-H]- 127.08768 127.5
[M+NH4]+ 146.12878 147.0
[M+K]+ 167.05812 131.8
[M+H-H2O]+ 111.09222 121.6
[M+HCOO]- 173.09316 146.4
[M+CH3COO]- 187.10881 170.9
[M+Na-2H]- 149.06963 131.4
[M]+ 128.09441 120.1
[M]- 128.09551 120.1
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