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: 1073
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]+	277.122296	162.9
[M+Na]+	299.104238	171.5
[M-H]-	275.107744	168.4
[M+NH4]+	294.148843	181.0
[M+K]+	315.078178	166.4
[M+H-H2O]+	259.112280	155.5
[M+HCOO]-	321.113221	183.9
[M+CH3COO]-	335.128871	202.1
[M+Na-2H]-	297.089686	169.2
[M]+	276.11447142	166.0
[M]-	276.11556858	166.0

Literature stripe

literature stripe

Patent stripe

patents stripe