CID 16244618

939760-42-6

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1OC)N
InChI
InChI=1S/C14H22N2O3/c1-14(2,3)19-13(17)16-9-11(15)10-7-5-6-8-12(10)18-4/h5-8,11H,9,15H2,1-4H3,(H,16,17)
InChIKey
WFJDFZYEBDJNDS-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(2-methoxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

266.16306 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 164.2
[M+Na]+ 289.15228 168.8
[M-H]- 265.15578 167.0
[M+NH4]+ 284.19688 180.0
[M+K]+ 305.12622 167.9
[M+H-H2O]+ 249.16032 157.3
[M+HCOO]- 311.16126 185.8
[M+CH3COO]- 325.17691 202.2
[M+Na-2H]- 287.13773 166.9
[M]+ 266.16251 165.3
[M]- 266.16361 165.3
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