CID 373917

2-benzyl-1-cyanoguanidine

Structural Information

Molecular Formula
C9H10N4
SMILES
C1=CC=C(C=C1)CN=C(N)NC#N
InChI
InChI=1S/C9H10N4/c10-7-13-9(11)12-6-8-4-2-1-3-5-8/h1-5H,6H2,(H3,11,12,13)
InChIKey
VFDXJSPBOJYHQF-UHFFFAOYSA-N
Compound name
2-benzyl-1-cyanoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

64
Patents

174.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 142.4
[M+Na]+ 197.07977 149.7
[M-H]- 173.08327 145.8
[M+NH4]+ 192.12437 159.6
[M+K]+ 213.05371 147.4
[M+H-H2O]+ 157.08781 128.7
[M+HCOO]- 219.08875 165.6
[M+CH3COO]- 233.10440 199.6
[M+Na-2H]- 195.06522 148.4
[M]+ 174.09000 134.3
[M]- 174.09110 134.3
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.