CID 102553

Pinocarvyl acetate

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(=O)OC1CC2CC(C1=C)C2(C)C
InChI
InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3
InChIKey
UDBAGFUFASPUFS-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

66
Patents

194.13068 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 143.4
[M+Na]+ 217.11990 149.0
[M+NH4]+ 212.16450 150.5
[M+K]+ 233.09384 143.0
[M-H]- 193.12340 138.8
[M+Na-2H]- 215.10535 140.2
[M]+ 194.13013 141.8
[M]- 194.13123 141.8
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

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