CID 39870797

1461713-50-7

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

C1CC2=NC3=C(N2C1)C=C(C=C3)C(=O)O

InChI

InChI=1S/C11H10N2O2/c14-11(15)7-3-4-8-9(6-7)13-5-1-2-10(13)12-8/h3-4,6H,1-2,5H2,(H,14,15)

InChIKey

OGSFCEONHCFKSQ-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 202.07423 Da
Monoisotopic Mass: 1.3
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]+	203.081506	141.7
[M+Na]+	225.063448	152.1
[M-H]-	201.066954	144.3
[M+NH4]+	220.108053	163.4
[M+K]+	241.037388	148.6
[M+H-H2O]+	185.071490	135.6
[M+HCOO]-	247.072431	162.4
[M+CH3COO]-	261.088081	155.2
[M+Na-2H]-	223.048896	146.4
[M]+	202.07368142	143.1
[M]-	202.07477858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe