CID 24705276

2-cyclobutyl-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula
C11H13N3
SMILES
C1CC(C1)C2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C11H13N3/c12-8-4-5-9-10(6-8)14-11(13-9)7-2-1-3-7/h4-7H,1-3,12H2,(H,13,14)
InChIKey
YZMUYZRVSLJPIN-UHFFFAOYSA-N
Compound name
2-cyclobutyl-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.11823 138.0
[M+Na]+ 210.10017 146.0
[M-H]- 186.10367 141.7
[M+NH4]+ 205.14477 150.6
[M+K]+ 226.07411 144.3
[M+H-H2O]+ 170.10821 125.4
[M+HCOO]- 232.10915 158.6
[M+CH3COO]- 246.12480 150.3
[M+Na-2H]- 208.08562 143.8
[M]+ 187.11040 143.8
[M]- 187.11150 143.8
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.