CID 22894124

1220120-57-9

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CCC1=CC=C(C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H19NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h6-9H,5H2,1-4H3,(H,14,15)

InChIKey

BQFYGEPCEBIOCO-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-ethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 221.14159 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.14887	152.0
[M+Na]+	244.13081	158.4
[M-H]-	220.13431	155.7
[M+NH4]+	239.17541	170.6
[M+K]+	260.10475	156.9
[M+H-H2O]+	204.13885	146.1
[M+HCOO]-	266.13979	174.4
[M+CH3COO]-	280.15544	191.7
[M+Na-2H]-	242.11626	157.2
[M]+	221.14104	153.9
[M]-	221.14214	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe