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

372
Patents

137.07149 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.078766 126.3
[M+Na]+ 160.060708 133.7
[M-H]- 136.064214 128.5
[M+NH4]+ 155.105313 145.7
[M+K]+ 176.034648 126.7
[M+H-H2O]+ 120.068750 122.6
[M+HCOO]- 182.069691 149.8
[M+CH3COO]- 196.085341 167.0
[M+Na-2H]- 158.046156 136.0
[M]+ 137.07094142 123.1
[M]- 137.07203858 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