CID 24467

Brn 0399453

Structural Information

Molecular Formula
C15H16O3
SMILES
CC(COC1=CC=C(C2=CC=CC=C21)C(=O)C)O
InChI
InChI=1S/C15H16O3/c1-10(16)9-18-15-8-7-12(11(2)17)13-5-3-4-6-14(13)15/h3-8,10,16H,9H2,1-2H3
InChIKey
LYQLKLJMPLDCIZ-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropoxy)naphthalen-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

244.10994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11722 154.4
[M+Na]+ 267.09916 161.6
[M-H]- 243.10266 157.6
[M+NH4]+ 262.14376 172.2
[M+K]+ 283.07310 158.7
[M+H-H2O]+ 227.10720 148.1
[M+HCOO]- 289.10814 174.1
[M+CH3COO]- 303.12379 193.6
[M+Na-2H]- 265.08461 158.4
[M]+ 244.10939 156.4
[M]- 244.11049 156.4
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