CID 50986376

Tert-butyl n-(2-aminoethyl)-n-cycloheptylcarbamate

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C)(C)OC(=O)N(CCN)C1CCCCCC1
InChI
InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16(11-10-15)12-8-6-4-5-7-9-12/h12H,4-11,15H2,1-3H3
InChIKey
XFRXVRQNXPSDOH-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-aminoethyl)-N-cycloheptylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 162.0
[M+Na]+ 279.20432 166.2
[M+NH4]+ 274.24892 167.6
[M+K]+ 295.17826 164.0
[M-H]- 255.20782 162.7
[M+Na-2H]- 277.18977 164.3
[M]+ 256.21455 162.4
[M]- 256.21565 162.4
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

No patent data available for this compound.