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
2
Annotation Hits

0
References

3513
Patents

210.16199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 148.2
[M+Na]+ 233.15121 153.9
[M-H]- 209.15471 151.4
[M+NH4]+ 228.19581 169.4
[M+K]+ 249.12515 152.8
[M+H-H2O]+ 193.15925 143.9
[M+HCOO]- 255.16019 166.0
[M+CH3COO]- 269.17584 189.7
[M+Na-2H]- 231.13666 149.0
[M]+ 210.16144 146.6
[M]- 210.16254 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