CID 63789556

Tert-butyl (2-phenoxyethyl)carbamate

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)NCCOC1=CC=CC=C1
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(15)14-9-10-16-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKey
IHRSZMNSNWYMCI-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-phenoxyethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

237.13649 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.7
[M+Na]+ 260.12571 161.0
[M-H]- 236.12921 158.9
[M+NH4]+ 255.17031 173.2
[M+K]+ 276.09965 160.1
[M+H-H2O]+ 220.13375 149.2
[M+HCOO]- 282.13469 178.3
[M+CH3COO]- 296.15034 192.6
[M+Na-2H]- 258.11116 161.5
[M]+ 237.13594 158.6
[M]- 237.13704 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe