CID 3618754

31645-35-9

Structural Information

Molecular Formula

C₁₉H₁₆O₂

SMILES

CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31

InChI

InChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3

InChIKey

MJYSISMEPNOHEG-UHFFFAOYSA-N

Compound name

anthracen-9-ylmethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1117
Patents: 276.11502 Da
Monoisotopic Mass: 5.1
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]+	277.12230	162.9
[M+Na]+	299.10424	171.5
[M-H]-	275.10774	168.4
[M+NH4]+	294.14884	181.0
[M+K]+	315.07818	166.4
[M+H-H2O]+	259.11228	155.5
[M+HCOO]-	321.11322	183.9
[M+CH3COO]-	335.12887	202.1
[M+Na-2H]-	297.08969	169.2
[M]+	276.11447	166.0
[M]-	276.11557	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe