CID 12279765

1-(1h-1,3-benzodiazol-2-yl)-2-methylbutan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H17N3
SMILES
CCC(C)C(C1=NC2=CC=CC=C2N1)N
InChI
InChI=1S/C12H17N3/c1-3-8(2)11(13)12-14-9-6-4-5-7-10(9)15-12/h4-8,11H,3,13H2,1-2H3,(H,14,15)
InChIKey
XZPXJYCEDOOLIW-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-2-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 147.1
[M+Na]+ 226.13146 154.8
[M-H]- 202.13496 147.5
[M+NH4]+ 221.17606 165.3
[M+K]+ 242.10540 150.7
[M+H-H2O]+ 186.13950 139.8
[M+HCOO]- 248.14044 167.1
[M+CH3COO]- 262.15609 187.3
[M+Na-2H]- 224.11691 151.2
[M]+ 203.14169 145.7
[M]- 203.14279 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

No patent data available for this compound.