CID 16740731

3-(1'-aminoethyl)-1-n-boc-aniline

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CC(C1=CC(=CC=C1)NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C13H20N2O2/c1-9(14)10-6-5-7-11(8-10)15-12(16)17-13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
InChIKey
IUBFAZSFGODJPA-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(1-aminoethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

236.15248 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.7
[M+Na]+ 259.141698 161.9
[M-H]- 235.145204 159.8
[M+NH4]+ 254.186303 173.9
[M+K]+ 275.115638 160.7
[M+H-H2O]+ 219.149740 150.4
[M+HCOO]- 281.150681 178.5
[M+CH3COO]- 295.166331 197.1
[M+Na-2H]- 257.127146 159.8
[M]+ 236.15193142 156.1
[M]- 236.15302858 156.1
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

patents stripe