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]+ 165.06586 139.2
[M+Na]+ 187.04780 149.3
[M-H]- 163.05130 143.2
[M+NH4]+ 182.09240 153.3
[M+K]+ 203.02174 146.9
[M+H-H2O]+ 147.05584 132.4
[M+HCOO]- 209.05678 160.0
[M+CH3COO]- 223.07243 176.8
[M+Na-2H]- 185.03325 147.1
[M]+ 164.05803 140.9
[M]- 164.05913 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