CID 57475875

5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1CC1COC2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C9H10N2O3/c12-9(13)7-3-11-8(4-10-7)14-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKey
UTKCEOFCDHLKRM-UHFFFAOYSA-N
Compound name
5-(cyclopropylmethoxy)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

194.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 145.7
[M+Na]+ 217.058358 155.4
[M-H]- 193.061864 149.4
[M+NH4]+ 212.102963 156.9
[M+K]+ 233.032298 151.9
[M+H-H2O]+ 177.066400 137.7
[M+HCOO]- 239.067341 166.5
[M+CH3COO]- 253.082991 183.2
[M+Na-2H]- 215.043806 151.4
[M]+ 194.06859142 149.0
[M]- 194.06968858 149.0
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