CID 72211063

38786-59-3

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)OC

InChI

InChI=1S/C12H14N2O3/c1-3-17-12(15)7-11-13-9-5-4-8(16-2)6-10(9)14-11/h4-6H,3,7H2,1-2H3,(H,13,14)

InChIKey

FWZHEKIYOSUUEX-UHFFFAOYSA-N

Compound name

ethyl 2-(6-methoxy-1H-benzimidazol-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.10045 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.107726	150.8
[M+Na]+	257.089668	160.6
[M-H]-	233.093174	152.0
[M+NH4]+	252.134273	168.5
[M+K]+	273.063608	157.5
[M+H-H2O]+	217.097710	143.6
[M+HCOO]-	279.098651	172.2
[M+CH3COO]-	293.114301	188.0
[M+Na-2H]-	255.075116	156.0
[M]+	234.09990142	155.6
[M]-	234.10099858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.