CID 1521748

3-(1-naphthyl)acrylic acid

Structural Information

Molecular Formula
C13H10O2
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)O
InChI
InChI=1S/C13H10O2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-9H,(H,14,15)/b9-8+
InChIKey
WPXMLUUYWNHQOR-CMDGGOBGSA-N
Compound name
(E)-3-naphthalen-1-ylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

198.06808 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07536 140.9
[M+Na]+ 221.05730 148.9
[M-H]- 197.06080 144.2
[M+NH4]+ 216.10190 160.6
[M+K]+ 237.03124 144.7
[M+H-H2O]+ 181.06534 135.1
[M+HCOO]- 243.06628 162.5
[M+CH3COO]- 257.08193 181.9
[M+Na-2H]- 219.04275 148.0
[M]+ 198.06753 140.3
[M]- 198.06863 140.3
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