CID 53256718

814263-30-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

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

InChI

InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)13-7-9/h4-5,7H,1-3H3,(H,14,15)

InChIKey

PORXJOIBOYMOMQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-cyanopyridin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 219.10077 Da
Monoisotopic Mass: 1.5
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]+	220.10805	152.5
[M+Na]+	242.08999	161.1
[M-H]-	218.09349	154.3
[M+NH4]+	237.13459	167.6
[M+K]+	258.06393	159.5
[M+H-H2O]+	202.09803	139.0
[M+HCOO]-	264.09897	170.5
[M+CH3COO]-	278.11462	201.0
[M+Na-2H]-	240.07544	157.8
[M]+	219.10022	148.4
[M]-	219.10132	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe