CID 4096806

16501-75-0

Structural Information

Molecular Formula
C10H9N3O2
SMILES
C1=CC=C(C=C1)C(=O)NNC(=O)CC#N
InChI
InChI=1S/C10H9N3O2/c11-7-6-9(14)12-13-10(15)8-4-2-1-3-5-8/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKey
WBXBARBASUPUBF-UHFFFAOYSA-N
Compound name
N'-(2-cyanoacetyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06947 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 149.4
[M+Na]+ 226.05869 156.7
[M-H]- 202.06219 152.1
[M+NH4]+ 221.10329 165.4
[M+K]+ 242.03263 154.5
[M+H-H2O]+ 186.06673 135.9
[M+HCOO]- 248.06767 170.4
[M+CH3COO]- 262.08332 199.1
[M+Na-2H]- 224.04414 154.0
[M]+ 203.06892 142.8
[M]- 203.07002 142.8
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.