CID 138987631

2052241-40-2

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CN(C)C/C=C/C(=O)NCC#C

InChI

InChI=1S/C9H14N2O/c1-4-7-10-9(12)6-5-8-11(2)3/h1,5-6H,7-8H2,2-3H3,(H,10,12)/b6-5+

InChIKey

IDHOTCYSPRIDDZ-AATRIKPKSA-N

Compound name

(E)-4-(dimethylamino)-N-prop-2-ynylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.11061 Da
Monoisotopic Mass: -0.1
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]+	167.117886	139.6
[M+Na]+	189.099828	146.8
[M-H]-	165.103334	140.1
[M+NH4]+	184.144433	157.9
[M+K]+	205.073768	145.8
[M+H-H2O]+	149.107870	127.8
[M+HCOO]-	211.108811	158.7
[M+CH3COO]-	225.124461	194.9
[M+Na-2H]-	187.085276	142.7
[M]+	166.11006142	134.8
[M]-	166.11115858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.