CID 73557011

1-pentalenol, octahydro-3a,6a-dimethyl-, acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(=O)OC1CCC2(C1(CCC2)C)C
InChI
InChI=1S/C12H20O2/c1-9(13)14-10-5-8-11(2)6-4-7-12(10,11)3/h10H,4-8H2,1-3H3
InChIKey
BHYNNKGORVTDNQ-UHFFFAOYSA-N
Compound name
(3a,6a-dimethyl-1,2,3,4,5,6-hexahydropentalen-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 147.1
[M+Na]+ 219.13555 154.9
[M+NH4]+ 214.18015 158.7
[M+K]+ 235.10949 149.4
[M-H]- 195.13905 147.7
[M+Na-2H]- 217.12100 151.6
[M]+ 196.14578 148.4
[M]- 196.14688 148.4
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.