CID 20057208

(r)-5-((1r)-menthyloxy)-2(5h)-furanone

Structural Information

Molecular Formula
C14H22O3
SMILES
C[C@@H]1CCC(C(C1)O[C@H]2C=CC(=O)O2)C(C)C
InChI
InChI=1S/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3/t10-,11?,12?,14-/m1/s1
InChIKey
URWJVUPZIGIVFZ-MLCFOIATSA-N
Compound name
(2R)-2-[(5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

238.15689 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 155.8
[M+Na]+ 261.14611 161.1
[M-H]- 237.14961 162.6
[M+NH4]+ 256.19071 174.1
[M+K]+ 277.12005 160.5
[M+H-H2O]+ 221.15415 150.0
[M+HCOO]- 283.15509 174.1
[M+CH3COO]- 297.17074 193.0
[M+Na-2H]- 259.13156 155.3
[M]+ 238.15634 154.8
[M]- 238.15744 154.8
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

patents stripe