CID 13170818

2-(4,5,6,7-tetrahydro-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H15N3
SMILES
C1CCC2=C(C1)NC(=N2)CCN
InChI
InChI=1S/C9H15N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-6,10H2,(H,11,12)
InChIKey
HPJUTPSEERFSIL-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.133876 136.3
[M+Na]+ 188.115818 142.8
[M-H]- 164.119324 135.7
[M+NH4]+ 183.160423 155.9
[M+K]+ 204.089758 139.2
[M+H-H2O]+ 148.123860 129.1
[M+HCOO]- 210.124801 155.0
[M+CH3COO]- 224.140451 147.9
[M+Na-2H]- 186.101266 141.4
[M]+ 165.12605142 130.8
[M]- 165.12714858 130.8
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.