CID 111032

3,3,5-trimethylcyclohexyl methacrylate

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1CC(CC(C1)(C)C)OC(=O)C(=C)C
InChI
InChI=1S/C13H22O2/c1-9(2)12(14)15-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3
InChIKey
DABQKEQFLJIRHU-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3214
Patents

210.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 148.2
[M+Na]+ 233.151208 153.9
[M-H]- 209.154714 151.4
[M+NH4]+ 228.195813 169.4
[M+K]+ 249.125148 152.8
[M+H-H2O]+ 193.159250 143.9
[M+HCOO]- 255.160191 166.0
[M+CH3COO]- 269.175841 189.7
[M+Na-2H]- 231.136656 149.0
[M]+ 210.16144142 146.6
[M]- 210.16253858 146.6
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