CID 688322

4-tert-butylcyclohexyl acrylate

Structural Information

Molecular Formula
C13H22O2
SMILES
CC(C)(C)C1CCC(CC1)OC(=O)C=C
InChI
InChI=1S/C13H22O2/c1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4/h5,10-11H,1,6-9H2,2-4H3
InChIKey
LAIJAUHBAWLPCO-UHFFFAOYSA-N
Compound name
(4-tert-butylcyclohexyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3919
Patents

210.16199 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 151.1
[M+Na]+ 233.15121 160.5
[M+NH4]+ 228.19581 158.6
[M+K]+ 249.12515 155.2
[M-H]- 209.15471 151.6
[M+Na-2H]- 231.13666 154.4
[M]+ 210.16144 152.4
[M]- 210.16254 152.4
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

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