CID 2735664

53588-95-7

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4,6H2,1-3H3,(H,10,11)

InChIKey

NORLFIHQJFOIGS-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-cyanoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 170.10553 Da
Monoisotopic Mass: 0.6
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	139.8
[M+Na]+	193.09475	147.6
[M-H]-	169.09825	140.7
[M+NH4]+	188.13935	158.2
[M+K]+	209.06869	148.1
[M+H-H2O]+	153.10279	128.5
[M+HCOO]-	215.10373	158.8
[M+CH3COO]-	229.11938	193.7
[M+Na-2H]-	191.08020	145.0
[M]+	170.10498	136.6
[M]-	170.10608	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe