CID 23423025

Trans-2-ethoxycyclopropanecarboxylic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
CCO[C@H]1C[C@@H]1C(=O)O
InChI
InChI=1S/C6H10O3/c1-2-9-5-3-4(5)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5-/m0/s1
InChIKey
NXCVRYFUTLMBAE-WHFBIAKZSA-N
Compound name
(1S,2S)-2-ethoxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

130.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 126.1
[M+Na]+ 153.05221 137.4
[M+NH4]+ 148.09681 134.1
[M+K]+ 169.02615 134.8
[M-H]- 129.05571 132.6
[M+Na-2H]- 151.03766 132.4
[M]+ 130.06244 130.3
[M]- 130.06354 130.3
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.