CID 13376834

95093-58-6

Structural Information

Molecular Formula
C16H24O3
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(C)O
InChI
InChI=1S/C16H24O3/c1-11(2)9-14-5-7-15(8-6-14)13(4)16(18)19-10-12(3)17/h5-8,11-13,17H,9-10H2,1-4H3
InChIKey
VUCGZWWOXKSFFZ-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.17255 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 165.1
[M+Na]+ 287.16177 169.3
[M-H]- 263.16527 166.7
[M+NH4]+ 282.20637 180.9
[M+K]+ 303.13571 167.8
[M+H-H2O]+ 247.16981 158.7
[M+HCOO]- 309.17075 182.7
[M+CH3COO]- 323.18640 199.0
[M+Na-2H]- 285.14722 163.4
[M]+ 264.17200 167.1
[M]- 264.17310 167.1
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.