CID 300728

Tert-butyl n-cyclohexylcarbamate

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)(C)OC(=O)NC1CCCCC1
InChI
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKey
DNSTUAQHBFISRZ-UHFFFAOYSA-N
Compound name
tert-butyl N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

855
Patents

199.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.16451 147.9
[M+Na]+ 222.14645 151.2
[M-H]- 198.14995 150.4
[M+NH4]+ 217.19105 166.8
[M+K]+ 238.12039 150.8
[M+H-H2O]+ 182.15449 142.3
[M+HCOO]- 244.15543 166.7
[M+CH3COO]- 258.17108 185.6
[M+Na-2H]- 220.13190 151.9
[M]+ 199.15668 144.4
[M]- 199.15778 144.4
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