CID 2733178

Methyl 1-hydroxy-1-cyclopropane carboxylate

Structural Information

Molecular Formula
C5H8O3
SMILES
COC(=O)C1(CC1)O
InChI
InChI=1S/C5H8O3/c1-8-4(6)5(7)2-3-5/h7H,2-3H2,1H3
InChIKey
KPJWVJURYXOHOO-UHFFFAOYSA-N
Compound name
methyl 1-hydroxycyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

729
Patents

116.04734 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 122.5
[M+Na]+ 139.036558 132.4
[M-H]- 115.040064 126.5
[M+NH4]+ 134.081163 141.5
[M+K]+ 155.010498 132.1
[M+H-H2O]+ 99.044600 118.6
[M+HCOO]- 161.045541 145.0
[M+CH3COO]- 175.061191 168.7
[M+Na-2H]- 137.022006 130.0
[M]+ 116.04679142 126.1
[M]- 116.04788858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe