CID 154578290

Rac-(1r,2s)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
COCC[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C7H12O3/c1-10-3-2-5-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKey
DUWSZQGLLONERU-PHDIDXHHSA-N
Compound name
(1R,2S)-2-(2-methoxyethyl)cyclopropane-1-carboxylic acid
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 129.3
[M+Na]+ 167.06786 138.6
[M-H]- 143.07136 132.9
[M+NH4]+ 162.11246 145.5
[M+K]+ 183.04180 136.7
[M+H-H2O]+ 127.07590 124.0
[M+HCOO]- 189.07684 151.5
[M+CH3COO]- 203.09249 176.6
[M+Na-2H]- 165.05331 134.1
[M]+ 144.07809 133.7
[M]- 144.07919 133.7
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.