CID 39869052

865998-45-4

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCOC(=O)C1=NC=CN1CC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O2/c1-2-17-13(16)12-14-8-9-15(12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKey
IKHCKQVOPBTOEG-UHFFFAOYSA-N
Compound name
ethyl 1-benzylimidazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

230.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.3
[M+Na]+ 253.09475 159.1
[M-H]- 229.09825 155.4
[M+NH4]+ 248.13935 168.1
[M+K]+ 269.06869 156.4
[M+H-H2O]+ 213.10279 142.6
[M+HCOO]- 275.10373 173.8
[M+CH3COO]- 289.11938 188.8
[M+Na-2H]- 251.08020 155.3
[M]+ 230.10498 153.6
[M]- 230.10608 153.6
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

patents stripe