CID 17747914

1-(4-cyanophenyl)guanidine

Structural Information

Molecular Formula
C8H8N4
SMILES
C1=CC(=CC=C1C#N)N=C(N)N
InChI
InChI=1S/C8H8N4/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4H,(H4,10,11,12)
InChIKey
BTDGLZSKNFJBER-UHFFFAOYSA-N
Compound name
2-(4-cyanophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

123
Patents

160.07489 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08217 139.1
[M+Na]+ 183.06411 147.5
[M-H]- 159.06761 142.6
[M+NH4]+ 178.10871 156.8
[M+K]+ 199.03805 145.3
[M+H-H2O]+ 143.07215 125.9
[M+HCOO]- 205.07309 162.0
[M+CH3COO]- 219.08874 197.9
[M+Na-2H]- 181.04956 143.9
[M]+ 160.07434 130.2
[M]- 160.07544 130.2
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