CID 373919

Nsc650949

Structural Information

Molecular Formula
C10H12N4
SMILES
CN=C(NCC1=CC=CC=C1)NC#N
InChI
InChI=1S/C10H12N4/c1-12-10(14-8-11)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,14)
InChIKey
GYAPXLSAWAVQGC-UHFFFAOYSA-N
Compound name
1-benzyl-3-cyano-2-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.1062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 146.1
[M+Na]+ 211.095418 153.1
[M-H]- 187.098924 149.9
[M+NH4]+ 206.140023 163.1
[M+K]+ 227.069358 150.8
[M+H-H2O]+ 171.103460 132.3
[M+HCOO]- 233.104401 169.6
[M+CH3COO]- 247.120051 202.3
[M+Na-2H]- 209.080866 152.6
[M]+ 188.10565142 139.2
[M]- 188.10674858 139.2
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

patents stripe