CID 7155

93-69-6

Structural Information

Molecular Formula
C9H13N5
SMILES
CC1=CC=CC=C1N=C(N)N=C(N)N
InChI
InChI=1S/C9H13N5/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKey
SQZCAOHYQSOZCE-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

12899
Patents

191.1171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 142.3
[M+Na]+ 214.10632 147.6
[M-H]- 190.10982 147.5
[M+NH4]+ 209.15092 160.9
[M+K]+ 230.08026 146.4
[M+H-H2O]+ 174.11436 134.5
[M+HCOO]- 236.11530 171.4
[M+CH3COO]- 250.13095 199.0
[M+Na-2H]- 212.09177 146.5
[M]+ 191.11655 136.7
[M]- 191.11765 136.7
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.