CID 83681204

6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
C1CC1C2=NC(=CC(=N2)Cl)C(=O)O
InChI
InChI=1S/C8H7ClN2O2/c9-6-3-5(8(12)13)10-7(11-6)4-1-2-4/h3-4H,1-2H2,(H,12,13)
InChIKey
LWCHFHHLCPQQDD-UHFFFAOYSA-N
Compound name
6-chloro-2-cyclopropylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.0196 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02688 140.7
[M+Na]+ 221.00882 152.2
[M-H]- 197.01232 144.5
[M+NH4]+ 216.05342 152.9
[M+K]+ 236.98276 147.0
[M+H-H2O]+ 181.01686 133.8
[M+HCOO]- 243.01780 157.2
[M+CH3COO]- 257.03345 183.1
[M+Na-2H]- 218.99427 145.9
[M]+ 198.01905 144.4
[M]- 198.02015 144.4
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.