CID 6427493

Cis-sabinene hydrate acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CC(C)[C@@]12CC[C@@](C1C2)(C)OC(=O)C
InChI
InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10?,11-,12+/m1/s1
InChIKey
MYCFGFMJUUNKBN-SAIIYOCFSA-N
Compound name
[(2R,5S)-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 148.2
[M+Na]+ 219.13555 158.7
[M+NH4]+ 214.18015 159.8
[M+K]+ 235.10949 153.2
[M-H]- 195.13905 155.8
[M+Na-2H]- 217.12100 155.6
[M]+ 196.14578 153.2
[M]- 196.14688 153.2
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

No patent data available for this compound.