CID 62212878

Methyl 2-cyclopropyl-2-hydroxypropanoate

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C1CC1)(C(=O)OC)O
InChI
InChI=1S/C7H12O3/c1-7(9,5-3-4-5)6(8)10-2/h5,9H,3-4H2,1-2H3
InChIKey
GIQWECZOGNXQGD-UHFFFAOYSA-N
Compound name
methyl 2-cyclopropyl-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.6
[M+Na]+ 167.06786 138.5
[M-H]- 143.07136 133.2
[M+NH4]+ 162.11246 145.8
[M+K]+ 183.04180 137.1
[M+H-H2O]+ 127.07590 124.8
[M+HCOO]- 189.07684 150.4
[M+CH3COO]- 203.09249 175.1
[M+Na-2H]- 165.05331 135.8
[M]+ 144.07809 133.1
[M]- 144.07919 133.1
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.