CID 69263381

Tert-butyl n-(1-amino-1-cyclohexylpropan-2-yl)carbamate

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C(C1CCCCC1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O2/c1-10(16-13(17)18-14(2,3)4)12(15)11-8-6-5-7-9-11/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKey
DSXLHXNYUSLMLW-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-1-cyclohexylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.222376 165.3
[M+Na]+ 279.204318 165.9
[M-H]- 255.207824 166.7
[M+NH4]+ 274.248923 181.0
[M+K]+ 295.178258 165.6
[M+H-H2O]+ 239.212360 158.9
[M+HCOO]- 301.213301 181.4
[M+CH3COO]- 315.228951 201.0
[M+Na-2H]- 277.189766 164.6
[M]+ 256.21455142 159.8
[M]- 256.21564858 159.8
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