CID 67190932

Tert-butyl n-(1-amino-3-cyclohexylpropan-2-yl)carbamate

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C)(C)OC(=O)NC(CC1CCCCC1)CN
InChI
InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKey
GEZIVXGQHCBQIX-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-cyclohexylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

256.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.222376 165.3
[M+Na]+ 279.204318 166.1
[M-H]- 255.207824 166.6
[M+NH4]+ 274.248923 181.1
[M+K]+ 295.178258 165.2
[M+H-H2O]+ 239.212360 158.7
[M+HCOO]- 301.213301 182.4
[M+CH3COO]- 315.228951 200.1
[M+Na-2H]- 277.189766 165.8
[M]+ 256.21455142 160.4
[M]- 256.21564858 160.4
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