CID 91663958

Lithium(1+) 1-(pyrimidin-2-yl)cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1CC1(C2=NC=CC=N2)C(=O)O
InChI
InChI=1S/C8H8N2O2/c11-7(12)8(2-3-8)6-9-4-1-5-10-6/h1,4-5H,2-3H2,(H,11,12)
InChIKey
OMNPYYRVZCQDLE-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.05858 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 139.2
[M+Na]+ 187.047798 149.3
[M-H]- 163.051304 143.2
[M+NH4]+ 182.092403 153.3
[M+K]+ 203.021738 146.9
[M+H-H2O]+ 147.055840 132.4
[M+HCOO]- 209.056781 160.0
[M+CH3COO]- 223.072431 176.8
[M+Na-2H]- 185.033246 147.1
[M]+ 164.05803142 140.9
[M]- 164.05912858 140.9
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