CID 64266379

1344086-34-5

Structural Information

Molecular Formula
C8H10N2O3
SMILES
CC(C)OC1=NC=C(N=C1)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-5(2)13-7-4-9-6(3-10-7)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKey
VJNSNJLSAALFQE-UHFFFAOYSA-N
Compound name
5-propan-2-yloxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

182.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.7
[M+Na]+ 205.05836 144.8
[M-H]- 181.06186 136.7
[M+NH4]+ 200.10296 153.3
[M+K]+ 221.03230 143.9
[M+H-H2O]+ 165.06640 129.7
[M+HCOO]- 227.06734 156.4
[M+CH3COO]- 241.08299 179.2
[M+Na-2H]- 203.04381 142.0
[M]+ 182.06859 138.2
[M]- 182.06969 138.2
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