CID 11139492

64622-17-9

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(C)C
InChI
InChI=1S/C16H24O2/c1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)18-12(3)4/h6-9,11-13H,10H2,1-5H3
InChIKey
RVZWLHIFEPTVBC-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

248.17763 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 161.0
[M+Na]+ 271.16685 165.8
[M-H]- 247.17035 164.1
[M+NH4]+ 266.21145 178.4
[M+K]+ 287.14079 164.6
[M+H-H2O]+ 231.17489 154.7
[M+HCOO]- 293.17583 180.0
[M+CH3COO]- 307.19148 199.5
[M+Na-2H]- 269.15230 159.9
[M]+ 248.17708 163.5
[M]- 248.17818 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe