CID 318808

N-cyano-n'-phenylformimidamide

Structural Information

Molecular Formula
C8H7N3
SMILES
C1=CC=C(C=C1)N=CNC#N
InChI
InChI=1S/C8H7N3/c9-6-10-7-11-8-4-2-1-3-5-8/h1-5,7H,(H,10,11)
InChIKey
GDTFNMGXZLJVEN-UHFFFAOYSA-N
Compound name
N-cyano-N'-phenylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

145.064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07128 131.5
[M+Na]+ 168.05322 140.3
[M-H]- 144.05672 135.7
[M+NH4]+ 163.09782 150.5
[M+K]+ 184.02716 137.9
[M+H-H2O]+ 128.06126 118.5
[M+HCOO]- 190.06220 155.7
[M+CH3COO]- 204.07785 192.8
[M+Na-2H]- 166.03867 140.2
[M]+ 145.06345 125.5
[M]- 145.06455 125.5
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

patents stripe