CID 103794

53500-83-7

Structural Information

Molecular Formula
C17H24O3
SMILES
CC(C)CC1=CC=C(C=C1)C2(C(O2)C(=O)OC(C)C)C
InChI
InChI=1S/C17H24O3/c1-11(2)10-13-6-8-14(9-7-13)17(5)15(20-17)16(18)19-12(3)4/h6-9,11-12,15H,10H2,1-5H3
InChIKey
CVDNLNHDGFLFBI-UHFFFAOYSA-N
Compound name
propan-2-yl 3-methyl-3-[4-(2-methylpropyl)phenyl]oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

276.17255 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.179826 162.9
[M+Na]+ 299.161768 171.0
[M-H]- 275.165274 171.2
[M+NH4]+ 294.206373 175.4
[M+K]+ 315.135708 170.7
[M+H-H2O]+ 259.169810 156.9
[M+HCOO]- 321.170751 182.0
[M+CH3COO]- 335.186401 205.2
[M+Na-2H]- 297.147216 164.9
[M]+ 276.17200142 170.5
[M]- 276.17309858 170.5
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

patents stripe