CID 121318341

1919049-55-0

Structural Information

Molecular Formula

C₉H₇ClN₂O₂

SMILES

CC1=CC(=NC2=C(C=CN12)C(=O)O)Cl

InChI

InChI=1S/C9H7ClN2O2/c1-5-4-7(10)11-8-6(9(13)14)2-3-12(5)8/h2-4H,1H3,(H,13,14)

InChIKey

NWUJICCUZZFEHH-UHFFFAOYSA-N

Compound name

2-chloro-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 210.0196 Da
Monoisotopic Mass: 2.6
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]+	211.02688	139.5
[M+Na]+	233.00882	154.1
[M+NH4]+	228.05342	147.5
[M+K]+	248.98276	149.8
[M-H]-	209.01232	139.9
[M+Na-2H]-	230.99427	145.3
[M]+	210.01905	141.9
[M]-	210.02015	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe