CID 13626218

1414958-19-2

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC(C)(C)OC(=O)C1(CC1)C#N

InChI

InChI=1S/C9H13NO2/c1-8(2,3)12-7(11)9(6-10)4-5-9/h4-5H2,1-3H3

InChIKey

MKWBPXNKDXMTRP-UHFFFAOYSA-N

Compound name

tert-butyl 1-cyanocyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 167.09464 Da
Monoisotopic Mass: 1.3
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]+	168.10192	136.7
[M+Na]+	190.08386	151.9
[M-H]-	166.08736	143.6
[M+NH4]+	185.12846	154.7
[M+K]+	206.05780	147.9
[M+H-H2O]+	150.09190	129.1
[M+HCOO]-	212.09284	156.4
[M+CH3COO]-	226.10849	193.6
[M+Na-2H]-	188.06931	144.8
[M]+	167.09409	138.2
[M]-	167.09519	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe