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]+ 163.097826 131.7
[M+Na]+ 185.079768 142.8
[M-H]- 161.083274 132.9
[M+NH4]+ 180.124373 151.8
[M+K]+ 201.053708 138.3
[M+H-H2O]+ 145.087810 125.2
[M+HCOO]- 207.088751 155.5
[M+CH3COO]- 221.104401 145.4
[M+Na-2H]- 183.065216 138.4
[M]+ 162.09000142 129.4
[M]- 162.09109858 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.