CID 39797

2-(4-aminophenyl)-1-(diaminomethylidene)guanidine

Structural Information

Molecular Formula
C8H12N6
SMILES
C1=CC(=CC=C1N)N=C(N)N=C(N)N
InChI
InChI=1S/C8H12N6/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,9H2,(H6,10,11,12,13,14)
InChIKey
CWZJZNDNMYFRCS-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

192.11235 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.119626 140.2
[M+Na]+ 215.101568 145.1
[M-H]- 191.105074 145.0
[M+NH4]+ 210.146173 158.0
[M+K]+ 231.075508 144.0
[M+H-H2O]+ 175.109610 132.1
[M+HCOO]- 237.110551 169.9
[M+CH3COO]- 251.126201 201.0
[M+Na-2H]- 213.087016 144.3
[M]+ 192.11180142 132.6
[M]- 192.11289858 132.6
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