CID 29667

Alpha-m-tolylbiguanide hydrochloride

Structural Information

Molecular Formula
C9H13N5
SMILES
CC1=CC(=CC=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C9H13N5/c1-6-3-2-4-7(5-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
InChIKey
CFHPNABTZSOBQJ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(3-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

110
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

literature stripe

Patent stripe

patents stripe