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 146.0
[M+Na]+ 226.13146 157.3
[M+NH4]+ 221.17606 153.8
[M+K]+ 242.10540 153.4
[M-H]- 202.13496 147.2
[M+Na-2H]- 224.11691 151.2
[M]+ 203.14169 147.7
[M]- 203.14279 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.