CID 2734778

113212-14-9

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CN(C)C=C(C(=O)OC)[N+]#[C-]

InChI

InChI=1S/C7H10N2O2/c1-8-6(5-9(2)3)7(10)11-4/h5H,2-4H3

InChIKey

FREGRQYTSPAJDX-UHFFFAOYSA-N

Compound name

methyl 3-(dimethylamino)-2-isocyanoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 154.07423 Da
Monoisotopic Mass: 0.4
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]+	155.08151	133.9
[M+Na]+	177.06345	143.7
[M+NH4]+	172.10805	137.8
[M+K]+	193.03739	138.3
[M-H]-	153.06695	127.1
[M+Na-2H]-	175.04890	134.5
[M]+	154.07368	132.2
[M]-	154.07478	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe