CID 23301932

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

Structural Information

Molecular Formula
C11H15N3
SMILES
CCCCC1=NC2=C(N1)C=C(C=C2)N
InChI
InChI=1S/C11H15N3/c1-2-3-4-11-13-9-6-5-8(12)7-10(9)14-11/h5-7H,2-4,12H2,1H3,(H,13,14)
InChIKey
QWQYWLVNKZCGIM-UHFFFAOYSA-N
Compound name
2-butyl-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

189.1266 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13388 141.4
[M+Na]+ 212.11582 151.1
[M-H]- 188.11932 142.1
[M+NH4]+ 207.16042 160.7
[M+K]+ 228.08976 146.2
[M+H-H2O]+ 172.12386 134.3
[M+HCOO]- 234.12480 163.8
[M+CH3COO]- 248.14045 154.2
[M+Na-2H]- 210.10127 147.7
[M]+ 189.12605 141.3
[M]- 189.12715 141.3
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