CID 799602

1-propyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
CCCN1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C10H13N3/c1-2-7-13-9-6-4-3-5-8(9)12-10(13)11/h3-6H,2,7H2,1H3,(H2,11,12)
InChIKey
MGKUHRRJQCKXOW-UHFFFAOYSA-N
Compound name
1-propylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

175.11095 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 136.4
[M+Na]+ 198.100168 147.0
[M-H]- 174.103674 138.7
[M+NH4]+ 193.144773 157.0
[M+K]+ 214.074108 143.3
[M+H-H2O]+ 158.108210 129.3
[M+HCOO]- 220.109151 160.7
[M+CH3COO]- 234.124801 150.4
[M+Na-2H]- 196.085616 143.7
[M]+ 175.11040142 137.9
[M]- 175.11149858 137.9
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

patents stripe