CID 165942791

2-[5-(2-methoxyethoxy)-1h-1,3-benzodiazol-2-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H17N3O2
SMILES
COCCOC1=CC2=C(C=C1)N=C(N2)CCN
InChI
InChI=1S/C12H17N3O2/c1-16-6-7-17-9-2-3-10-11(8-9)15-12(14-10)4-5-13/h2-3,8H,4-7,13H2,1H3,(H,14,15)
InChIKey
ZJSHDIPMVMPJMC-UHFFFAOYSA-N
Compound name
2-[6-(2-methoxyethoxy)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 151.6
[M+Na]+ 258.12130 160.4
[M-H]- 234.12480 152.0
[M+NH4]+ 253.16590 168.8
[M+K]+ 274.09524 156.5
[M+H-H2O]+ 218.12934 143.9
[M+HCOO]- 280.13028 174.0
[M+CH3COO]- 294.14593 190.9
[M+Na-2H]- 256.10675 157.4
[M]+ 235.13153 154.6
[M]- 235.13263 154.6
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.