CID 16729191

[4-[(2r,3r)-3-methyloxiran-2-yl]phenyl] (e)-2-methylbut-2-enoate

Structural Information

Molecular Formula
C14H16O3
SMILES
C/C=C(\C)/C(=O)OC1=CC=C(C=C1)[C@@H]2[C@H](O2)C
InChI
InChI=1S/C14H16O3/c1-4-9(2)14(15)17-12-7-5-11(6-8-12)13-10(3)16-13/h4-8,10,13H,1-3H3/b9-4+/t10-,13+/m1/s1
InChIKey
NVVSTEISAGGUMC-OQPYGKDBSA-N
Compound name
[4-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.117216 150.5
[M+Na]+ 255.099158 159.8
[M-H]- 231.102664 159.1
[M+NH4]+ 250.143763 162.9
[M+K]+ 271.073098 158.1
[M+H-H2O]+ 215.107200 143.7
[M+HCOO]- 277.108141 172.1
[M+CH3COO]- 291.123791 194.8
[M+Na-2H]- 253.084606 154.0
[M]+ 232.10939142 156.4
[M]- 232.11048858 156.4
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.