CID 21797827

Tert-butyl n-cyclohexyl-n-methylcarbamate

Structural Information

Molecular Formula
C12H23NO2
SMILES
CC(C)(C)OC(=O)N(C)C1CCCCC1
InChI
InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)13(4)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
InChIKey
NJCMYRUBEZOQTB-UHFFFAOYSA-N
Compound name
tert-butyl N-cyclohexyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

213.17288 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.18016 151.7
[M+Na]+ 236.16210 154.7
[M-H]- 212.16560 155.5
[M+NH4]+ 231.20670 170.7
[M+K]+ 252.13604 155.5
[M+H-H2O]+ 196.17014 145.7
[M+HCOO]- 258.17108 170.6
[M+CH3COO]- 272.18673 192.2
[M+Na-2H]- 234.14755 154.5
[M]+ 213.17233 149.8
[M]- 213.17343 149.8
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