CID 53773182

Tert-butyl n-{2-[4-(aminomethyl)phenoxy]ethyl}carbamate

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)(C)OC(=O)NCCOC1=CC=C(C=C1)CN
InChI
InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-8-9-18-12-6-4-11(10-15)5-7-12/h4-7H,8-10,15H2,1-3H3,(H,16,17)
InChIKey
DQBPFCICGMBSPQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(aminomethyl)phenoxy]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 164.0
[M+Na]+ 289.152278 168.9
[M-H]- 265.155784 166.8
[M+NH4]+ 284.196883 179.9
[M+K]+ 305.126218 167.4
[M+H-H2O]+ 249.160320 157.0
[M+HCOO]- 311.161261 186.6
[M+CH3COO]- 325.176911 201.3
[M+Na-2H]- 287.137726 167.9
[M]+ 266.16251142 165.8
[M]- 266.16360858 165.8
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

No patent data available for this compound.