CID 91997189

2-propenoic acid, 3-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)cyclohexyl ester

Structural Information

Molecular Formula
C19H30O2
SMILES
CC1C2CC(C1(C)C)CC2C3CCCC(C3)OC(=O)C=C
InChI
InChI=1S/C19H30O2/c1-5-18(20)21-15-8-6-7-13(9-15)17-11-14-10-16(17)12(2)19(14,3)4/h5,12-17H,1,6-11H2,2-4H3
InChIKey
CDBRNGRSVNBVLJ-UHFFFAOYSA-N
Compound name
[3-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclohexyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

290.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.231856 175.1
[M+Na]+ 313.213798 179.9
[M-H]- 289.217304 180.1
[M+NH4]+ 308.258403 198.0
[M+K]+ 329.187738 175.6
[M+H-H2O]+ 273.221840 170.6
[M+HCOO]- 335.222781 189.8
[M+CH3COO]- 349.238431 204.8
[M+Na-2H]- 311.199246 170.8
[M]+ 290.22403142 172.0
[M]- 290.22512858 172.0
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