CID 84729350

Tert-butyl n-(2-amino-2-cycloheptylethyl)carbamate

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C)(C)OC(=O)NCC(C1CCCCCC1)N
InChI
InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16-10-12(15)11-8-6-4-5-7-9-11/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKey
DLWPQUYKDPNMHK-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-2-cycloheptylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.222376 159.3
[M+Na]+ 279.204318 158.6
[M-H]- 255.207824 162.0
[M+NH4]+ 274.248923 174.0
[M+K]+ 295.178258 162.9
[M+H-H2O]+ 239.212360 153.1
[M+HCOO]- 301.213301 175.9
[M+CH3COO]- 315.228951 200.7
[M+Na-2H]- 277.189766 159.9
[M]+ 256.21455142 151.6
[M]- 256.21564858 151.6
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

No patent data available for this compound.