CID 3541750

Tert-butyl n-(2-phenylethyl)carbamate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)14-10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKey
VUOOOFYYTHRGJI-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

221.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.6
[M+Na]+ 244.13081 158.1
[M-H]- 220.13431 155.9
[M+NH4]+ 239.17541 170.9
[M+K]+ 260.10475 156.6
[M+H-H2O]+ 204.13885 146.4
[M+HCOO]- 266.13979 175.1
[M+CH3COO]- 280.15544 190.5
[M+Na-2H]- 242.11626 158.4
[M]+ 221.14104 154.1
[M]- 221.14214 154.1
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