CID 165948402

Lithium(1+) 1-(5-methoxypyrazin-2-yl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC1=NC=C(N=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-14-7-5-10-6(4-11-7)9(2-3-9)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKey
QKKWGBREUMPXRZ-UHFFFAOYSA-N
Compound name
1-(5-methoxypyrazin-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 146.5
[M+Na]+ 217.058358 156.9
[M-H]- 193.061864 150.6
[M+NH4]+ 212.102963 159.6
[M+K]+ 233.032298 154.5
[M+H-H2O]+ 177.066400 139.6
[M+HCOO]- 239.067341 167.0
[M+CH3COO]- 253.082991 182.8
[M+Na-2H]- 215.043806 153.2
[M]+ 194.06859142 150.3
[M]- 194.06968858 150.3
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

No patent data available for this compound.