CID 51863

73622-74-9

Structural Information

Molecular Formula
C15H16O4
SMILES
CC(COC1=CC=C(C2=CC=CC=C21)C(=O)CO)O
InChI
InChI=1S/C15H16O4/c1-10(17)9-19-15-7-6-12(14(18)8-16)11-4-2-3-5-13(11)15/h2-7,10,16-17H,8-9H2,1H3
InChIKey
DEVJBGWNDCATIL-UHFFFAOYSA-N
Compound name
2-hydroxy-1-[4-(2-hydroxypropoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 157.8
[M+Na]+ 283.09408 164.3
[M-H]- 259.09758 159.5
[M+NH4]+ 278.13868 174.1
[M+K]+ 299.06802 161.3
[M+H-H2O]+ 243.10212 151.5
[M+HCOO]- 305.10306 176.1
[M+CH3COO]- 319.11871 193.3
[M+Na-2H]- 281.07953 161.3
[M]+ 260.10431 159.4
[M]- 260.10541 159.4
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

No patent data available for this compound.