CID 5468921

Nsc679196

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC=C2C(=C1)NC(=N2)N/N=C/C(=O)O
InChI
InChI=1S/C9H8N4O2/c14-8(15)5-10-13-9-11-6-3-1-2-4-7(6)12-9/h1-5H,(H,14,15)(H2,11,12,13)/b10-5+
InChIKey
YIDCVQZEQVYQOL-BJMVGYQFSA-N
Compound name
(2E)-2-(1H-benzimidazol-2-ylhydrazinylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06473 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07201 139.0
[M+Na]+ 227.05395 147.7
[M-H]- 203.05745 140.3
[M+NH4]+ 222.09855 156.8
[M+K]+ 243.02789 144.1
[M+H-H2O]+ 187.06199 131.4
[M+HCOO]- 249.06293 163.5
[M+CH3COO]- 263.07858 185.0
[M+Na-2H]- 225.03940 147.6
[M]+ 204.06418 138.8
[M]- 204.06528 138.8
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.