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]+ 233.11722 150.5
[M+Na]+ 255.09916 159.8
[M-H]- 231.10266 159.1
[M+NH4]+ 250.14376 162.9
[M+K]+ 271.07310 158.1
[M+H-H2O]+ 215.10720 143.7
[M+HCOO]- 277.10814 172.1
[M+CH3COO]- 291.12379 194.8
[M+Na-2H]- 253.08461 154.0
[M]+ 232.10939 156.4
[M]- 232.11049 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.