CID 59145461

4-(propan-2-yl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C10H13N3
SMILES
CC(C)C1=C2C(=CC=C1)NC(=N2)N
InChI
InChI=1S/C10H13N3/c1-6(2)7-4-3-5-8-9(7)13-10(11)12-8/h3-6H,1-2H3,(H3,11,12,13)
InChIKey
UCINSFZSWCYYIP-UHFFFAOYSA-N
Compound name
4-propan-2-yl-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

175.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 137.6
[M+Na]+ 198.100168 147.4
[M-H]- 174.103674 138.6
[M+NH4]+ 193.144773 157.4
[M+K]+ 214.074108 143.3
[M+H-H2O]+ 158.108210 130.9
[M+HCOO]- 220.109151 159.3
[M+CH3COO]- 234.124801 150.7
[M+Na-2H]- 196.085616 143.2
[M]+ 175.11040142 136.5
[M]- 175.11149858 136.5
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

No patent data available for this compound.