CID 66563857

Tert-butyl n-[(1r,4r)-4-(2-aminoethoxy)cyclohexyl]carbamate hydrochloride

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)OCCN
InChI
InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-10-4-6-11(7-5-10)17-9-8-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKey
PFQJXVGQJFCUKB-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.19434 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.201616 163.1
[M+Na]+ 281.183558 165.4
[M-H]- 257.187064 164.8
[M+NH4]+ 276.228163 179.1
[M+K]+ 297.157498 164.8
[M+H-H2O]+ 241.191600 156.6
[M+HCOO]- 303.192541 181.7
[M+CH3COO]- 317.208191 199.5
[M+Na-2H]- 279.169006 164.8
[M]+ 258.19379142 160.3
[M]- 258.19488858 160.3
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.