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]+ 257.22238 165.3
[M+Na]+ 279.20432 165.9
[M-H]- 255.20782 166.7
[M+NH4]+ 274.24892 181.0
[M+K]+ 295.17826 165.6
[M+H-H2O]+ 239.21236 158.9
[M+HCOO]- 301.21330 181.4
[M+CH3COO]- 315.22895 201.0
[M+Na-2H]- 277.18977 164.6
[M]+ 256.21455 159.8
[M]- 256.21565 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