CID 178200068

Tert-butyl n-[1-(4-aminophenyl)-3-hydroxypropyl]carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.16306 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.170336 164.4
[M+Na]+ 289.152278 168.6
[M-H]- 265.155784 165.9
[M+NH4]+ 284.196883 179.5
[M+K]+ 305.126218 166.9
[M+H-H2O]+ 249.160320 157.8
[M+HCOO]- 311.161261 184.5
[M+CH3COO]- 325.176911 199.9
[M+Na-2H]- 287.137726 166.6
[M]+ 266.16251142 163.7
[M]- 266.16360858 163.7
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.