CID 3011003

6-methyl-1h-benzimidazole-2,4-diamine

Structural Information

Molecular Formula
C8H10N4
SMILES
CC1=CC(=C2C(=C1)NC(=N2)N)N
InChI
InChI=1S/C8H10N4/c1-4-2-5(9)7-6(3-4)11-8(10)12-7/h2-3H,9H2,1H3,(H3,10,11,12)
InChIKey
PCIIIAUXIPLZFG-UHFFFAOYSA-N
Compound name
6-methyl-1H-benzimidazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

162.09055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 131.7
[M+Na]+ 185.07977 142.8
[M-H]- 161.08327 132.9
[M+NH4]+ 180.12437 151.8
[M+K]+ 201.05371 138.3
[M+H-H2O]+ 145.08781 125.2
[M+HCOO]- 207.08875 155.5
[M+CH3COO]- 221.10440 145.4
[M+Na-2H]- 183.06522 138.4
[M]+ 162.09000 129.4
[M]- 162.09110 129.4
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

No patent data available for this compound.