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

52
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

literature stripe

Patent stripe

patents stripe