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]+ 188.08183 144.0
[M+Na]+ 210.06377 152.0
[M-H]- 186.06727 147.9
[M+NH4]+ 205.10837 161.3
[M+K]+ 226.03771 149.5
[M+H-H2O]+ 170.07181 130.4
[M+HCOO]- 232.07275 167.1
[M+CH3COO]- 246.08840 199.4
[M+Na-2H]- 208.04922 150.4
[M]+ 187.07400 138.5
[M]- 187.07510 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.