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 152.1
[M+Na]+ 236.16210 156.1
[M-H]- 212.16560 154.9
[M+NH4]+ 231.20670 170.8
[M+K]+ 252.13604 155.5
[M+H-H2O]+ 196.17014 146.2
[M+HCOO]- 258.17108 171.0
[M+CH3COO]- 272.18673 192.3
[M+Na-2H]- 234.14755 152.2
[M]+ 213.17233 149.6
[M]- 213.17343 149.6
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