CID 165918359

4-(3-chloropyrazin-2-yl)oxane-4-carboxylic acid

Structural Information

Molecular Formula
C10H11ClN2O3
SMILES
C1COCCC1(C2=NC=CN=C2Cl)C(=O)O
InChI
InChI=1S/C10H11ClN2O3/c11-8-7(12-3-4-13-8)10(9(14)15)1-5-16-6-2-10/h3-4H,1-2,5-6H2,(H,14,15)
InChIKey
VBRCYNNNVRFRKH-UHFFFAOYSA-N
Compound name
4-(3-chloropyrazin-2-yl)oxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.04582 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05310 148.8
[M+Na]+ 265.03504 156.1
[M-H]- 241.03854 151.7
[M+NH4]+ 260.07964 163.8
[M+K]+ 281.00898 153.8
[M+H-H2O]+ 225.04308 141.5
[M+HCOO]- 287.04402 160.4
[M+CH3COO]- 301.05967 184.6
[M+Na-2H]- 263.02049 155.2
[M]+ 242.04527 147.7
[M]- 242.04637 147.7
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.