CID 83851854

16492-29-8

Structural Information

Molecular Formula

C₅H₄ClN₃O₂

SMILES

C1=C(N=C(N=C1N)Cl)C(=O)O

InChI

InChI=1S/C5H4ClN3O2/c6-5-8-2(4(10)11)1-3(7)9-5/h1H,(H,10,11)(H2,7,8,9)

InChIKey

UHGBKWYISOUYAE-UHFFFAOYSA-N

Compound name

6-amino-2-chloropyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 172.9992 Da
Monoisotopic Mass: 0.7
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]+	174.00648	129.9
[M+Na]+	195.98842	142.4
[M+NH4]+	191.03302	136.8
[M+K]+	211.96236	138.1
[M-H]-	171.99192	129.9
[M+Na-2H]-	193.97387	135.7
[M]+	172.99865	131.6
[M]-	172.99975	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe