CID 300722

1-(4-hydroxynaphthalen-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H10O2
SMILES
CC(=O)C1=CC=C(C2=CC=CC=C21)O
InChI
InChI=1S/C12H10O2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,14H,1H3
InChIKey
SAPGSAHOBOEJDV-UHFFFAOYSA-N
Compound name
1-(4-hydroxynaphthalen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

186.06808 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.07536 136.8
[M+Na]+ 209.05730 145.8
[M-H]- 185.06080 140.6
[M+NH4]+ 204.10190 157.3
[M+K]+ 225.03124 142.5
[M+H-H2O]+ 169.06534 131.3
[M+HCOO]- 231.06628 158.5
[M+CH3COO]- 245.08193 181.5
[M+Na-2H]- 207.04275 143.7
[M]+ 186.06753 137.1
[M]- 186.06863 137.1
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