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

1069
Patents

276.11502 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.