CID 4064248

19102-44-4

Structural Information

Molecular Formula
C14H12O2
SMILES
CC(=C)C(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C14H12O2/c1-10(2)14(15)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3
InChIKey
HVYCQBKSRWZZGX-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6821
Patents

212.08372 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09100 145.2
[M+Na]+ 235.07294 152.9
[M-H]- 211.07644 149.8
[M+NH4]+ 230.11754 164.9
[M+K]+ 251.04688 149.9
[M+H-H2O]+ 195.08098 139.0
[M+HCOO]- 257.08192 166.9
[M+CH3COO]- 271.09757 188.4
[M+Na-2H]- 233.05839 151.0
[M]+ 212.08317 146.2
[M]- 212.08427 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe