CID 12129277

145878-50-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C#N

InChI

InChI=1S/C12H14N2O2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,1-3H3,(H,14,15)

InChIKey

UEEFNFUJFIMRPZ-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-cyanophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 218.10553 Da
Monoisotopic Mass: 2.8
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]+	219.11281	151.6
[M+Na]+	241.09475	161.7
[M+NH4]+	236.13935	155.2
[M+K]+	257.06869	153.6
[M-H]-	217.09825	145.5
[M+Na-2H]-	239.08020	154.5
[M]+	218.10498	150.3
[M]-	218.10608	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe