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

72
Patents

194.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 145.7
[M+Na]+ 217.05836 155.4
[M-H]- 193.06186 149.4
[M+NH4]+ 212.10296 156.9
[M+K]+ 233.03230 151.9
[M+H-H2O]+ 177.06640 137.7
[M+HCOO]- 239.06734 166.5
[M+CH3COO]- 253.08299 183.2
[M+Na-2H]- 215.04381 151.4
[M]+ 194.06859 149.0
[M]- 194.06969 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