CID 10154103

Rac-(1r,4s)-4-hydroxycyclopent-2-en-1-yl acetate

Structural Information

Molecular Formula
C7H10O3
SMILES
CC(=O)O[C@@H]1C[C@@H](C=C1)O
InChI
InChI=1S/C7H10O3/c1-5(8)10-7-3-2-6(9)4-7/h2-3,6-7,9H,4H2,1H3/t6-,7+/m1/s1
InChIKey
IJDYOKVVRXZCFD-RQJHMYQMSA-N
Compound name
[(1R,4S)-4-hydroxycyclopent-2-en-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

587
Patents

142.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 127.9
[M+Na]+ 165.05221 135.5
[M-H]- 141.05571 130.4
[M+NH4]+ 160.09681 150.6
[M+K]+ 181.02615 135.0
[M+H-H2O]+ 125.06025 123.3
[M+HCOO]- 187.06119 150.7
[M+CH3COO]- 201.07684 169.5
[M+Na-2H]- 163.03766 131.5
[M]+ 142.06244 127.7
[M]- 142.06354 127.7
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.