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]+ 182.047956 134.6
[M+Na]+ 204.029898 147.7
[M-H]- 180.033404 137.2
[M+NH4]+ 199.074503 156.0
[M+K]+ 220.003838 142.6
[M+H-H2O]+ 164.037940 128.5
[M+HCOO]- 226.038881 154.7
[M+CH3COO]- 240.054531 149.3
[M+Na-2H]- 202.015346 141.6
[M]+ 181.04013142 137.6
[M]- 181.04122858 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