CID 3664250

2-naphthyl acrylate

Structural Information

Molecular Formula
C13H10O2
SMILES
C=CC(=O)OC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H10O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
InChIKey
SLVJUZOHXPZVLR-UHFFFAOYSA-N
Compound name
naphthalen-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2456
Patents

198.06808 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 140.4
[M+Na]+ 221.05730 148.8
[M-H]- 197.06080 145.1
[M+NH4]+ 216.10190 160.8
[M+K]+ 237.03124 145.5
[M+H-H2O]+ 181.06534 134.3
[M+HCOO]- 243.06628 163.5
[M+CH3COO]- 257.08193 184.5
[M+Na-2H]- 219.04275 147.9
[M]+ 198.06753 141.7
[M]- 198.06863 141.7
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