CID 84706544

Tert-butyl (4-(azetidin-3-yl)phenyl)carbamate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2CNC2
InChI
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-12-6-4-10(5-7-12)11-8-15-9-11/h4-7,11,15H,8-9H2,1-3H3,(H,16,17)
InChIKey
PMCNPLSFQVWUOB-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(azetidin-3-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 161.2
[M+Na]+ 271.14170 166.5
[M+NH4]+ 266.18630 163.7
[M+K]+ 287.11564 163.5
[M-H]- 247.14520 159.9
[M+Na-2H]- 269.12715 163.9
[M]+ 248.15193 160.1
[M]- 248.15303 160.1
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.