CID 9834711

3-(l-menthoxy)-2-methylpropane-1,2-diol

Structural Information

Molecular Formula
C14H28O3
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCC(C)(CO)O)C(C)C
InChI
InChI=1S/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3/t11-,12+,13-,14?/m1/s1
InChIKey
XCNCWOPROFTLGU-RBKKPWLPSA-N
Compound name
2-methyl-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

806
Patents

244.20384 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 161.3
[M+Na]+ 267.19306 164.6
[M-H]- 243.19656 161.0
[M+NH4]+ 262.23766 177.7
[M+K]+ 283.16700 162.9
[M+H-H2O]+ 227.20110 156.3
[M+HCOO]- 289.20204 174.9
[M+CH3COO]- 303.21769 192.1
[M+Na-2H]- 265.17851 161.2
[M]+ 244.20329 159.0
[M]- 244.20439 159.0
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.