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

11
Patents

213.17288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 152.1
[M+Na]+ 236.162098 156.1
[M-H]- 212.165604 154.9
[M+NH4]+ 231.206703 170.8
[M+K]+ 252.136038 155.5
[M+H-H2O]+ 196.170140 146.2
[M+HCOO]- 258.171081 171.0
[M+CH3COO]- 272.186731 192.3
[M+Na-2H]- 234.147546 152.2
[M]+ 213.17233142 149.6
[M]- 213.17342858 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