CID 86694118

1452561-64-6

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CC(C)(C1=NC=CN=C1Cl)C(=O)O
InChI
InChI=1S/C8H9ClN2O2/c1-8(2,7(12)13)5-6(9)11-4-3-10-5/h3-4H,1-2H3,(H,12,13)
InChIKey
AVLLBMUBOUSJBF-UHFFFAOYSA-N
Compound name
2-(3-chloropyrazin-2-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.03525 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 139.0
[M+Na]+ 223.02447 148.5
[M-H]- 199.02797 139.0
[M+NH4]+ 218.06907 155.9
[M+K]+ 238.99841 145.1
[M+H-H2O]+ 183.03251 133.3
[M+HCOO]- 245.03345 153.2
[M+CH3COO]- 259.04910 180.4
[M+Na-2H]- 221.00992 145.7
[M]+ 200.03470 141.0
[M]- 200.03580 141.0
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.