CID 344887

1572-98-1

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CCOC(=O)C(C)(C)C#N

InChI

InChI=1S/C7H11NO2/c1-4-10-6(9)7(2,3)5-8/h4H2,1-3H3

InChIKey

FYGRPGOHQCPZCV-UHFFFAOYSA-N

Compound name

ethyl 2-cyano-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 411
Patents: 141.07898 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]+	142.08626	129.8
[M+Na]+	164.06820	139.1
[M+NH4]+	159.11280	133.5
[M+K]+	180.04214	132.2
[M-H]-	140.07170	121.2
[M+Na-2H]-	162.05365	130.9
[M]+	141.07843	127.7
[M]-	141.07953	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe