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

4
Patents

238.15689 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.164166 155.8
[M+Na]+ 261.146108 161.1
[M-H]- 237.149614 162.6
[M+NH4]+ 256.190713 174.1
[M+K]+ 277.120048 160.5
[M+H-H2O]+ 221.154150 150.0
[M+HCOO]- 283.155091 174.1
[M+CH3COO]- 297.170741 193.0
[M+Na-2H]- 259.131556 155.3
[M]+ 238.15634142 154.8
[M]- 238.15743858 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