CID 10654719

180976-09-4

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h6H2,1-4H3

InChIKey

AXNPHDXTYKKHSJ-UHFFFAOYSA-N

Compound name

tert-butyl N-(cyanomethyl)-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 170.10553 Da
Monoisotopic Mass: 0.9
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]+	171.11281	138.8
[M+Na]+	193.09475	146.9
[M+NH4]+	188.13935	142.1
[M+K]+	209.06869	140.5
[M-H]-	169.09825	130.6
[M+Na-2H]-	191.08020	139.4
[M]+	170.10498	136.5
[M]-	170.10608	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe