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]+ 145.085916 129.6
[M+Na]+ 167.067858 138.5
[M-H]- 143.071364 133.2
[M+NH4]+ 162.112463 145.8
[M+K]+ 183.041798 137.1
[M+H-H2O]+ 127.075900 124.8
[M+HCOO]- 189.076841 150.4
[M+CH3COO]- 203.092491 175.1
[M+Na-2H]- 165.053306 135.8
[M]+ 144.07809142 133.1
[M]- 144.07918858 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.