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
6
Annotation Hits

0
References

870
Patents

244.20384 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.211116 161.3
[M+Na]+ 267.193058 164.6
[M-H]- 243.196564 161.0
[M+NH4]+ 262.237663 177.7
[M+K]+ 283.166998 162.9
[M+H-H2O]+ 227.201100 156.3
[M+HCOO]- 289.202041 174.9
[M+CH3COO]- 303.217691 192.1
[M+Na-2H]- 265.178506 161.2
[M]+ 244.20329142 159.0
[M]- 244.20438858 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

patents stripe