CID 164943797

Tert-butyl (3-(cyanomethylene)cyclobutyl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(C)(C)OC(=O)NC1CC(=CC#N)C1

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-8(7-9)4-5-12/h4,9H,6-7H2,1-3H3,(H,13,14)

InChIKey

AFMDBGUELPGFGB-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(cyanomethylidene)cyclobutyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 208.12119 Da
Monoisotopic Mass: 1.1
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]+	209.128466	148.9
[M+Na]+	231.110408	154.5
[M-H]-	207.113914	152.1
[M+NH4]+	226.155013	160.0
[M+K]+	247.084348	157.7
[M+H-H2O]+	191.118450	132.3
[M+HCOO]-	253.119391	165.4
[M+CH3COO]-	267.135041	202.3
[M+Na-2H]-	229.095856	151.7
[M]+	208.12064142	151.4
[M]-	208.12173858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe