CID 83869051

1240597-65-2

Structural Information

Molecular Formula

C₈H₇ClN₂O₂

SMILES

C1CC1C2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C8H7ClN2O2/c9-5-3-10-7(4-1-2-4)11-6(5)8(12)13/h3-4H,1-2H2,(H,12,13)

InChIKey

AAVNVYQKXOAXAR-UHFFFAOYSA-N

Compound name

5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 198.0196 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]+	199.02688	139.8
[M+Na]+	221.00882	154.7
[M+NH4]+	216.05342	147.9
[M+K]+	236.98276	150.4
[M-H]-	197.01232	147.9
[M+Na-2H]-	218.99427	149.0
[M]+	198.01905	145.4
[M]-	198.02015	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe