CID 6869220

180793-11-7

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)CC#N
InChI
InChI=1S/C10H9N3O/c11-7-6-10(14)13-12-8-9-4-2-1-3-5-9/h1-5,8H,6H2,(H,13,14)/b12-8+
InChIKey
INMVSZQSMSATPX-XYOKQWHBSA-N
Compound name
N-[(E)-benzylideneamino]-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

187.07455 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.081826 144.0
[M+Na]+ 210.063768 152.0
[M-H]- 186.067274 147.9
[M+NH4]+ 205.108373 161.3
[M+K]+ 226.037708 149.5
[M+H-H2O]+ 170.071810 130.4
[M+HCOO]- 232.072751 167.1
[M+CH3COO]- 246.088401 199.4
[M+Na-2H]- 208.049216 150.4
[M]+ 187.07400142 138.5
[M]- 187.07509858 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.