CID 66222821

1432754-58-9

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
C1=C(C(=O)NC=C1Cl)CN
InChI
InChI=1S/C6H7ClN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,2,8H2,(H,9,10)
InChIKey
DLXRPFXKWWTZRT-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-chloro-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.02469 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 127.9
[M+Na]+ 181.01391 138.2
[M-H]- 157.01741 128.9
[M+NH4]+ 176.05851 147.5
[M+K]+ 196.98785 133.5
[M+H-H2O]+ 141.02195 123.0
[M+HCOO]- 203.02289 146.8
[M+CH3COO]- 217.03854 173.8
[M+Na-2H]- 178.99936 134.5
[M]+ 158.02414 126.9
[M]- 158.02524 126.9
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

No patent data available for this compound.