CID 16740838

Tert-butyl n-(1-cyanocyclohexyl)carbamate

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₂

SMILES

CC(C)(C)OC(=O)NC1(CCCCC1)C#N

InChI

InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-8H2,1-3H3,(H,14,15)

InChIKey

FHEWQQKIHCOSKJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-cyanocyclohexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 224.15248 Da
Monoisotopic Mass: 2.3
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]+	225.159756	155.5
[M+Na]+	247.141698	161.9
[M-H]-	223.145204	158.2
[M+NH4]+	242.186303	173.4
[M+K]+	263.115638	159.8
[M+H-H2O]+	207.149740	144.2
[M+HCOO]-	269.150681	170.9
[M+CH3COO]-	283.166331	200.9
[M+Na-2H]-	245.127146	159.8
[M]+	224.15193142	147.9
[M]-	224.15302858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe