CID 97805111

1807941-01-0

Structural Information

Molecular Formula
C8H12O3
SMILES
CC(=C)[C@H]1[C@H](CCO1)C(=O)O
InChI
InChI=1S/C8H12O3/c1-5(2)7-6(8(9)10)3-4-11-7/h6-7H,1,3-4H2,2H3,(H,9,10)/t6-,7-/m0/s1
InChIKey
RJHZCJXTRNHKPJ-BQBZGAKWSA-N
Compound name
(2R,3S)-2-prop-1-en-2-yloxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 133.3
[M+Na]+ 179.06786 139.5
[M-H]- 155.07136 135.9
[M+NH4]+ 174.11246 153.8
[M+K]+ 195.04180 139.6
[M+H-H2O]+ 139.07590 128.8
[M+HCOO]- 201.07684 152.5
[M+CH3COO]- 215.09249 173.7
[M+Na-2H]- 177.05331 135.2
[M]+ 156.07809 131.3
[M]- 156.07919 131.3
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.