CID 87187149

Tert-butyl n-[3-(2-aminoethoxy)propyl]carbamate

Structural Information

Molecular Formula
C10H22N2O3
SMILES
CC(C)(C)OC(=O)NCCCOCCN
InChI
InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-6-4-7-14-8-5-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKey
LPHXDOGUEPNTJE-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

218.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.170316 153.4
[M+Na]+ 241.152258 157.8
[M-H]- 217.155764 152.7
[M+NH4]+ 236.196863 171.3
[M+K]+ 257.126198 157.9
[M+H-H2O]+ 201.160300 147.6
[M+HCOO]- 263.161241 175.7
[M+CH3COO]- 277.176891 192.7
[M+Na-2H]- 239.137706 157.2
[M]+ 218.16249142 155.8
[M]- 218.16358858 155.8
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