CID 170433

40882-89-1

Structural Information

Molecular Formula
C13H22O2
SMILES
CC1=CCC(CC1COC(=O)C)C(C)C
InChI
InChI=1S/C13H22O2/c1-9(2)12-6-5-10(3)13(7-12)8-15-11(4)14/h5,9,12-13H,6-8H2,1-4H3
InChIKey
UJOATSGMIACOJR-UHFFFAOYSA-N
Compound name
(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 149.8
[M+Na]+ 233.15121 155.2
[M-H]- 209.15471 152.9
[M+NH4]+ 228.19581 169.0
[M+K]+ 249.12515 154.3
[M+H-H2O]+ 193.15925 144.2
[M+HCOO]- 255.16019 168.9
[M+CH3COO]- 269.17584 190.7
[M+Na-2H]- 231.13666 150.2
[M]+ 210.16144 150.0
[M]- 210.16254 150.0
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

No patent data available for this compound.