CID 15420408

Ns00044762

Structural Information

Molecular Formula
C12H20O2
SMILES
CC1=C(CC(CC1)C(C)C)OC(=O)C
InChI
InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h8,11H,5-7H2,1-4H3
InChIKey
FXHCRZPQIWGVNY-UHFFFAOYSA-N
Compound name
(2-methyl-5-propan-2-ylcyclohexen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 145.1
[M+Na]+ 219.135548 150.9
[M-H]- 195.139054 148.4
[M+NH4]+ 214.180153 164.9
[M+K]+ 235.109488 150.2
[M+H-H2O]+ 179.143590 139.7
[M+HCOO]- 241.144531 164.5
[M+CH3COO]- 255.160181 187.6
[M+Na-2H]- 217.120996 146.0
[M]+ 196.14578142 144.9
[M]- 196.14687858 144.9
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.