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
2
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]+ 143.070266 127.9
[M+Na]+ 165.052208 135.5
[M-H]- 141.055714 130.4
[M+NH4]+ 160.096813 150.6
[M+K]+ 181.026148 135.0
[M+H-H2O]+ 125.060250 123.3
[M+HCOO]- 187.061191 150.7
[M+CH3COO]- 201.076841 169.5
[M+Na-2H]- 163.037656 131.5
[M]+ 142.06244142 127.7
[M]- 142.06353858 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

literature stripe

Patent stripe

patents stripe