CID 115877

63937-30-4

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CN(C)C1=C(C(=O)C(=C)C1)O

InChI

InChI=1S/C8H11NO2/c1-5-4-6(9(2)3)8(11)7(5)10/h11H,1,4H2,2-3H3

InChIKey

RSSKIVGIDBXOIX-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-2-hydroxy-5-methylidenecyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 153.07898 Da
Monoisotopic Mass: 0.9
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]+	154.08626	132.1
[M+Na]+	176.06820	141.9
[M+NH4]+	171.11280	139.8
[M+K]+	192.04214	139.2
[M-H]-	152.07170	133.1
[M+Na-2H]-	174.05365	135.8
[M]+	153.07843	133.4
[M]-	153.07953	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe