CID 75422273

4-chloro-1-methyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CN1C2=C(C(=CC=C2)Cl)N=C1N
InChI
InChI=1S/C8H8ClN3/c1-12-6-4-2-3-5(9)7(6)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
MCSSWSFNMXAEJY-UHFFFAOYSA-N
Compound name
4-chloro-1-methylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.04068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 134.6
[M+Na]+ 204.02990 147.7
[M-H]- 180.03340 137.2
[M+NH4]+ 199.07450 156.0
[M+K]+ 220.00384 142.6
[M+H-H2O]+ 164.03794 128.5
[M+HCOO]- 226.03888 154.7
[M+CH3COO]- 240.05453 149.3
[M+Na-2H]- 202.01535 141.6
[M]+ 181.04013 137.6
[M]- 181.04123 137.6
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