CID 61781

Limonen-10-yl acetate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC1=CCC(CC1)C(=C)COC(=O)C
InChI
InChI=1S/C12H18O2/c1-9-4-6-12(7-5-9)10(2)8-14-11(3)13/h4,12H,2,5-8H2,1,3H3
InChIKey
BCTDJPZNMXPMIA-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)prop-2-enyl acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

6
Patents

194.13068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.7
[M+Na]+ 217.11990 149.8
[M-H]- 193.12340 147.6
[M+NH4]+ 212.16450 164.1
[M+K]+ 233.09384 148.5
[M+H-H2O]+ 177.12794 139.0
[M+HCOO]- 239.12888 164.2
[M+CH3COO]- 253.14453 185.6
[M+Na-2H]- 215.10535 146.2
[M]+ 194.13013 143.4
[M]- 194.13123 143.4
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

patents stripe