CID 15979484

2-cyclopropyl-1-methyl-1h-1,3-benzodiazol-5-amine

Structural Information

Molecular Formula
C11H13N3
SMILES
CN1C2=C(C=C(C=C2)N)N=C1C3CC3
InChI
InChI=1S/C11H13N3/c1-14-10-5-4-8(12)6-9(10)13-11(14)7-2-3-7/h4-7H,2-3,12H2,1H3
InChIKey
LNTJHRYKXIOPJI-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-methylbenzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

187.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 142.6
[M+Na]+ 210.100168 155.5
[M-H]- 186.103674 148.9
[M+NH4]+ 205.144773 158.0
[M+K]+ 226.074108 149.8
[M+H-H2O]+ 170.108210 135.3
[M+HCOO]- 232.109151 166.8
[M+CH3COO]- 246.124801 156.3
[M+Na-2H]- 208.085616 148.6
[M]+ 187.11040142 145.7
[M]- 187.11149858 145.7
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