CID 4260017

Ethyl 2-isocyano-2-methylpropanoate

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CCOC(=O)C(C)(C)[N+]#[C-]

InChI

InChI=1S/C7H11NO2/c1-5-10-6(9)7(2,3)8-4/h5H2,1-3H3

InChIKey

LVKJJEGXLAIBFX-UHFFFAOYSA-N

Compound name

ethyl 2-isocyano-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 141.07898 Da
Monoisotopic Mass: 1.0
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	128.7
[M+Na]+	164.06820	139.5
[M+NH4]+	159.11280	133.0
[M+K]+	180.04214	133.9
[M-H]-	140.07170	121.4
[M+Na-2H]-	162.05365	129.9
[M]+	141.07843	127.2
[M]-	141.07953	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe