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

48
Patents

182.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.7
[M+Na]+ 205.058358 144.8
[M-H]- 181.061864 136.7
[M+NH4]+ 200.102963 153.3
[M+K]+ 221.032298 143.9
[M+H-H2O]+ 165.066400 129.7
[M+HCOO]- 227.067341 156.4
[M+CH3COO]- 241.082991 179.2
[M+Na-2H]- 203.043806 142.0
[M]+ 182.06859142 138.2
[M]- 182.06968858 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