CID 205190

Menthol n-methylcarbamate

Structural Information

Molecular Formula
C12H23NO2
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)NC)C(C)C
InChI
InChI=1S/C12H23NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,5-7H2,1-4H3,(H,13,14)/t9-,10+,11-/m1/s1
InChIKey
MFECVIRCZJLBCY-OUAUKWLOSA-N
Compound name
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

213.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 151.8
[M+Na]+ 236.16210 160.3
[M+NH4]+ 231.20670 159.2
[M+K]+ 252.13604 155.5
[M-H]- 212.16560 153.2
[M+Na-2H]- 234.14755 154.6
[M]+ 213.17233 153.1
[M]- 213.17343 153.1
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