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

11
Patents

200.03525 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 139.0
[M+Na]+ 223.024468 148.5
[M-H]- 199.027974 139.0
[M+NH4]+ 218.069073 155.9
[M+K]+ 238.998408 145.1
[M+H-H2O]+ 183.032510 133.3
[M+HCOO]- 245.033451 153.2
[M+CH3COO]- 259.049101 180.4
[M+Na-2H]- 221.009916 145.7
[M]+ 200.03470142 141.0
[M]- 200.03579858 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

patents stripe