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 146.7
[M+Na]+ 219.13555 155.9
[M-H]- 195.13905 152.1
[M+NH4]+ 214.18015 167.9
[M+K]+ 235.10949 154.8
[M+H-H2O]+ 179.14359 143.8
[M+HCOO]- 241.14453 165.5
[M+CH3COO]- 255.16018 188.9
[M+Na-2H]- 217.12100 150.3
[M]+ 196.14578 151.4
[M]- 196.14688 151.4
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.