CID 62215201

Ethyl 2-cyclopropyl-2-hydroxyacetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

144.07864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.8
[M+Na]+ 167.067858 138.0
[M-H]- 143.071364 133.2
[M+NH4]+ 162.112463 145.7
[M+K]+ 183.041798 136.7
[M+H-H2O]+ 127.075900 124.3
[M+HCOO]- 189.076841 151.1
[M+CH3COO]- 203.092491 175.7
[M+Na-2H]- 165.053306 134.1
[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

patents stripe