CID 308071

Ethyl 2-(1h-1,3-benzodiazol-2-yl)acetate

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CCOC(=O)CC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H12N2O2/c1-2-15-11(14)7-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,12,13)
InChIKey
JTVPWPDLKUQDAU-UHFFFAOYSA-N
Compound name
ethyl 2-(1H-benzimidazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

227
Patents

204.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 143.4
[M+Na]+ 227.079088 152.8
[M-H]- 203.082594 144.4
[M+NH4]+ 222.123693 162.1
[M+K]+ 243.053028 149.4
[M+H-H2O]+ 187.087130 136.3
[M+HCOO]- 249.088071 165.0
[M+CH3COO]- 263.103721 181.7
[M+Na-2H]- 225.064536 149.7
[M]+ 204.08932142 146.0
[M]- 204.09041858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe