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]+ 166.13388 136.3
[M+Na]+ 188.11582 142.8
[M-H]- 164.11932 135.7
[M+NH4]+ 183.16042 155.9
[M+K]+ 204.08976 139.2
[M+H-H2O]+ 148.12386 129.1
[M+HCOO]- 210.12480 155.0
[M+CH3COO]- 224.14045 147.9
[M+Na-2H]- 186.10127 141.4
[M]+ 165.12605 130.8
[M]- 165.12715 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.