CID 15006

101540-04-9

Structural Information

Molecular Formula
C9H13N5
SMILES
C1=CC=C(C=C1)CN=C(N)N=C(N)N
InChI
InChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)
InChIKey
IBWXAMPUVRBFIS-UHFFFAOYSA-N
Compound name
2-benzyl-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

277
Patents

191.1171 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.12438 141.4
[M+Na]+ 214.10632 145.7
[M-H]- 190.10982 146.1
[M+NH4]+ 209.15092 159.6
[M+K]+ 230.08026 144.4
[M+H-H2O]+ 174.11436 133.3
[M+HCOO]- 236.11530 170.4
[M+CH3COO]- 250.13095 197.8
[M+Na-2H]- 212.09177 146.4
[M]+ 191.11655 135.4
[M]- 191.11765 135.4
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.