CID 16729188

[4-[(2r,3r)-3-methyloxiran-2-yl]phenyl] (2s)-2-methylbutanoate

Structural Information

Molecular Formula
C14H18O3
SMILES
CC[C@H](C)C(=O)OC1=CC=C(C=C1)[C@@H]2[C@H](O2)C
InChI
InChI=1S/C14H18O3/c1-4-9(2)14(15)17-12-7-5-11(6-8-12)13-10(3)16-13/h5-10,13H,4H2,1-3H3/t9-,10+,13-/m0/s1
InChIKey
GZZHKMKHBABOEJ-CWSCBRNRSA-N
Compound name
[4-[(2R,3R)-3-methyloxiran-2-yl]phenyl] (2S)-2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 151.4
[M+Na]+ 257.11482 160.3
[M-H]- 233.11832 159.9
[M+NH4]+ 252.15942 163.7
[M+K]+ 273.08876 159.1
[M+H-H2O]+ 217.12286 144.4
[M+HCOO]- 279.12380 172.7
[M+CH3COO]- 293.13945 196.2
[M+Na-2H]- 255.10027 154.8
[M]+ 234.12505 158.0
[M]- 234.12615 158.0
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.