CID 1712878

3-(2-(acetyloxy)-1-naphthalenyl)-2-propenal

Structural Information

Molecular Formula
C15H12O3
SMILES
CC(=O)OC1=C(C2=CC=CC=C2C=C1)/C=C/C=O
InChI
InChI=1S/C15H12O3/c1-11(17)18-15-9-8-12-5-2-3-6-13(12)14(15)7-4-10-16/h2-10H,1H3/b7-4+
InChIKey
HRIBAEXLHQETTL-QPJJXVBHSA-N
Compound name
[1-[(E)-3-oxoprop-1-enyl]naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

240.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 151.4
[M+Na]+ 263.06786 160.1
[M-H]- 239.07136 156.1
[M+NH4]+ 258.11246 170.2
[M+K]+ 279.04180 156.4
[M+H-H2O]+ 223.07590 144.9
[M+HCOO]- 285.07684 174.1
[M+CH3COO]- 299.09249 192.2
[M+Na-2H]- 261.05331 157.1
[M]+ 240.07809 154.4
[M]- 240.07919 154.4
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

patents stripe