CID 65682191

2-cyclopropyl-2-ethoxyacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.6
[M+Na]+ 167.06786 137.7
[M-H]- 143.07136 132.9
[M+NH4]+ 162.11246 145.4
[M+K]+ 183.04180 136.4
[M+H-H2O]+ 127.07590 124.1
[M+HCOO]- 189.07684 150.9
[M+CH3COO]- 203.09249 176.4
[M+Na-2H]- 165.05331 133.9
[M]+ 144.07809 133.0
[M]- 144.07919 133.0
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