CID 83816426

933739-23-2

Structural Information

Molecular Formula
C6H5ClN2O2
SMILES
CC1=CC(=NC(=N1)C(=O)O)Cl
InChI
InChI=1S/C6H5ClN2O2/c1-3-2-4(7)9-5(8-3)6(10)11/h2H,1H3,(H,10,11)
InChIKey
YTZZKCSUEQIWAU-UHFFFAOYSA-N
Compound name
4-chloro-6-methylpyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.00395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.01123 128.9
[M+Na]+ 194.99317 139.7
[M-H]- 170.99667 129.2
[M+NH4]+ 190.03777 147.1
[M+K]+ 210.96711 136.5
[M+H-H2O]+ 155.00121 123.2
[M+HCOO]- 217.00215 145.4
[M+CH3COO]- 231.01780 175.2
[M+Na-2H]- 192.97862 135.3
[M]+ 172.00340 131.0
[M]- 172.00450 131.0
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

No patent data available for this compound.