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]+ 243.053096 148.8
[M+Na]+ 265.035038 156.1
[M-H]- 241.038544 151.7
[M+NH4]+ 260.079643 163.8
[M+K]+ 281.008978 153.8
[M+H-H2O]+ 225.043080 141.5
[M+HCOO]- 287.044021 160.4
[M+CH3COO]- 301.059671 184.6
[M+Na-2H]- 263.020486 155.2
[M]+ 242.04527142 147.7
[M]- 242.04636858 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.