CID 6850757

Menthoxypropane diol

Structural Information

Molecular Formula
C13H26O3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCC(CO)O)C(C)C
InChI
InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3/t10-,11?,12+,13-/m1/s1
InChIKey
MDVYIGJINBYKOM-IBSWDFHHSA-N
Compound name
3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

4
References

8247
Patents

230.1882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 157.7
[M+Na]+ 253.17742 160.8
[M-H]- 229.18092 157.4
[M+NH4]+ 248.22202 174.5
[M+K]+ 269.15136 159.3
[M+H-H2O]+ 213.18546 152.3
[M+HCOO]- 275.18640 172.2
[M+CH3COO]- 289.20205 189.5
[M+Na-2H]- 251.16287 156.0
[M]+ 230.18765 154.9
[M]- 230.18875 154.9
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

No patent data available for this compound.