CID 177799710

Tert-butyl n-[(1r,4r)-4-(3-aminopropoxy)cyclohexyl]carbamate

Structural Information

Molecular Formula
C14H28N2O3
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)OCCCN
InChI
InChI=1S/C14H28N2O3/c1-14(2,3)19-13(17)16-11-5-7-12(8-6-11)18-10-4-9-15/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKey
WEOIYUMPXULOFP-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(3-aminopropoxy)cyclohexyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.21 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.21728 167.6
[M+Na]+ 295.19922 169.4
[M-H]- 271.20272 169.1
[M+NH4]+ 290.24382 183.0
[M+K]+ 311.17316 168.6
[M+H-H2O]+ 255.20726 160.9
[M+HCOO]- 317.20820 185.8
[M+CH3COO]- 331.22385 202.6
[M+Na-2H]- 293.18467 168.8
[M]+ 272.20945 165.1
[M]- 272.21055 165.1
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.