CID 20590415

2763749-83-1

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC(C)C1=NC=CN=C1C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-5(2)6-7(8(11)12)10-4-3-9-6/h3-5H,1-2H3,(H,11,12)
InChIKey
WHLAFMDUKSVGML-UHFFFAOYSA-N
Compound name
3-propan-2-ylpyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

166.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.9
[M+Na]+ 189.063448 142.0
[M-H]- 165.066954 133.8
[M+NH4]+ 184.108053 151.1
[M+K]+ 205.037388 140.6
[M+H-H2O]+ 149.071490 127.1
[M+HCOO]- 211.072431 153.3
[M+CH3COO]- 225.088081 177.1
[M+Na-2H]- 187.048896 139.1
[M]+ 166.07368142 133.9
[M]- 166.07477858 133.9
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