CID 124976

128840-36-8

Structural Information

Molecular Formula
C14H24O3
SMILES
CC(=C)C(=O)OC1CCC(CC1O)C(C)(C)C
InChI
InChI=1S/C14H24O3/c1-9(2)13(16)17-12-7-6-10(8-11(12)15)14(3,4)5/h10-12,15H,1,6-8H2,2-5H3
InChIKey
JZUCDZZFJRODNS-UHFFFAOYSA-N
Compound name
(4-tert-butyl-2-hydroxycyclohexyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

500
Patents

240.17255 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17983 156.9
[M+Na]+ 263.16177 161.2
[M-H]- 239.16527 158.4
[M+NH4]+ 258.20637 174.2
[M+K]+ 279.13571 159.8
[M+H-H2O]+ 223.16981 152.2
[M+HCOO]- 285.17075 171.6
[M+CH3COO]- 299.18640 192.4
[M+Na-2H]- 261.14722 156.4
[M]+ 240.17200 154.4
[M]- 240.17310 154.4
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