CID 57509244

Menthyl 2-hydroxypropyl carbonate

Structural Information

Molecular Formula
C14H26O4
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)OCC(C)O)C(C)C
InChI
InChI=1S/C14H26O4/c1-9(2)12-6-5-10(3)7-13(12)18-14(16)17-8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1
InChIKey
FLYJSXDJKBHQAU-IBSWDFHHSA-N
Compound name
2-hydroxypropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

1310
Patents

258.1831 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 162.9
[M+Na]+ 281.17232 166.1
[M-H]- 257.17582 164.0
[M+NH4]+ 276.21692 179.2
[M+K]+ 297.14626 165.9
[M+H-H2O]+ 241.18036 157.2
[M+HCOO]- 303.18130 178.0
[M+CH3COO]- 317.19695 195.9
[M+Na-2H]- 279.15777 160.1
[M]+ 258.18255 162.4
[M]- 258.18365 162.4
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

patents stripe