CID 10219851

2-(l-menthoxy)ethanol

Structural Information

Molecular Formula
C12H24O2
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCCO)C(C)C
InChI
InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1
InChIKey
FVBGFZNFXUIHNC-GRYCIOLGSA-N
Compound name
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

779
Patents

200.17763 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 149.5
[M+Na]+ 223.166848 153.7
[M-H]- 199.170354 150.8
[M+NH4]+ 218.211453 168.4
[M+K]+ 239.140788 152.4
[M+H-H2O]+ 183.174890 144.1
[M+HCOO]- 245.175831 166.6
[M+CH3COO]- 259.191481 186.1
[M+Na-2H]- 221.152296 150.0
[M]+ 200.17708142 147.4
[M]- 200.17817858 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe