CID 412680

1-(carbamoylmethyl)pyridinium chloride

Structural Information

Molecular Formula
C7H9N2O
SMILES
C1=CC=[N+](C=C1)CC(=O)N
InChI
InChI=1S/C7H8N2O/c8-7(10)6-9-4-2-1-3-5-9/h1-5H,6H2,(H-,8,10)/p+1
InChIKey
ZJVYOVDSOZMWFU-UHFFFAOYSA-O
Compound name
2-pyridin-1-ium-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

137.07149 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07877 126.3
[M+Na]+ 160.06071 133.7
[M-H]- 136.06421 128.5
[M+NH4]+ 155.10531 145.7
[M+K]+ 176.03465 126.7
[M+H-H2O]+ 120.06875 122.6
[M+HCOO]- 182.06969 149.8
[M+CH3COO]- 196.08534 167.0
[M+Na-2H]- 158.04616 136.0
[M]+ 137.07094 123.1
[M]- 137.07204 123.1
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