CID 22222064

90883-38-8

Structural Information

Molecular Formula
C14H20O4
SMILES
CC(=C)C(=O)OC1(CCCCC1)OC(=O)C(=C)C
InChI
InChI=1S/C14H20O4/c1-10(2)12(15)17-14(8-6-5-7-9-14)18-13(16)11(3)4/h1,3,5-9H2,2,4H3
InChIKey
XTNAQYPNHOEHCW-UHFFFAOYSA-N
Compound name
[1-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

252.13615 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 158.3
[M+Na]+ 275.12537 161.6
[M-H]- 251.12887 160.5
[M+NH4]+ 270.16997 176.6
[M+K]+ 291.09931 161.2
[M+H-H2O]+ 235.13341 153.3
[M+HCOO]- 297.13435 174.5
[M+CH3COO]- 311.15000 193.9
[M+Na-2H]- 273.11082 157.5
[M]+ 252.13560 156.4
[M]- 252.13670 156.4
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