CID 104901

Acrylodan

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CN(C)C1=CC2=C(C=C1)C=C(C=C2)C(=O)C=C

InChI

InChI=1S/C15H15NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h4-10H,1H2,2-3H3

InChIKey

HMWAJFNEGAJETK-UHFFFAOYSA-N

Compound name

1-[6-(dimethylamino)naphthalen-2-yl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 137
References: 1102
Patents: 225.11537 Da
Monoisotopic Mass: 3.6
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]+	226.122646	149.8
[M+Na]+	248.104588	157.5
[M-H]-	224.108094	155.8
[M+NH4]+	243.149193	169.6
[M+K]+	264.078528	154.5
[M+H-H2O]+	208.112630	143.1
[M+HCOO]-	270.113571	173.4
[M+CH3COO]-	284.129221	198.6
[M+Na-2H]-	246.090036	155.1
[M]+	225.11482142	151.3
[M]-	225.11591858	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe