CID 504345

2-[2-(hydrazinecarbonyl)pyridin-1-ium-1-yl]acetic acid

Structural Information

Molecular Formula
C8H10N3O3
SMILES
C1=CC=[N+](C(=C1)C(=O)NN)CC(=O)O
InChI
InChI=1S/C8H9N3O3/c9-10-8(14)6-3-1-2-4-11(6)5-7(12)13/h1-4,9H,5H2,(H2,12,13,14)/p+1
InChIKey
PYTHTGNDSRERAW-UHFFFAOYSA-O
Compound name
2-[2-(hydrazinecarbonyl)pyridin-1-ium-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.07222 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07950 139.1
[M+Na]+ 219.06144 145.5
[M-H]- 195.06494 140.2
[M+NH4]+ 214.10604 155.1
[M+K]+ 235.03538 138.3
[M+H-H2O]+ 179.06948 134.9
[M+HCOO]- 241.07042 161.5
[M+CH3COO]- 255.08607 176.9
[M+Na-2H]- 217.04689 146.4
[M]+ 196.07167 135.3
[M]- 196.07277 135.3
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