CID 21156163

94346-09-5

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1C(CCC1(C)OC(=O)C)C(=C)C
InChI
InChI=1S/C12H20O2/c1-8(2)11-6-7-12(5,9(11)3)14-10(4)13/h9,11H,1,6-7H2,2-5H3
InChIKey
NKWCOKZUKIEZAR-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-3-prop-1-en-2-ylcyclopentyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

200
Patents

196.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 144.8
[M+Na]+ 219.13555 151.7
[M-H]- 195.13905 148.4
[M+NH4]+ 214.18015 168.3
[M+K]+ 235.10949 150.6
[M+H-H2O]+ 179.14359 141.1
[M+HCOO]- 241.14453 165.0
[M+CH3COO]- 255.16018 186.4
[M+Na-2H]- 217.12100 144.9
[M]+ 196.14578 144.8
[M]- 196.14688 144.8
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

No patent data available for this compound.