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

38
Patents

230.10553 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 151.3
[M+Na]+ 253.094748 159.1
[M-H]- 229.098254 155.4
[M+NH4]+ 248.139353 168.1
[M+K]+ 269.068688 156.4
[M+H-H2O]+ 213.102790 142.6
[M+HCOO]- 275.103731 173.8
[M+CH3COO]- 289.119381 188.8
[M+Na-2H]- 251.080196 155.3
[M]+ 230.10498142 153.6
[M]- 230.10607858 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