CID 283974

1-hydroxy-1-methylnaphthalen-2(1h)-one

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1(C(=O)C=CC2=CC=CC=C21)O
InChI
InChI=1S/C11H10O2/c1-11(13)9-5-3-2-4-8(9)6-7-10(11)12/h2-7,13H,1H3
InChIKey
BIFHWLQPOGDRGR-UHFFFAOYSA-N
Compound name
1-hydroxy-1-methylnaphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

174.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 133.8
[M+Na]+ 197.057298 143.5
[M-H]- 173.060804 137.8
[M+NH4]+ 192.101903 156.8
[M+K]+ 213.031238 140.3
[M+H-H2O]+ 157.065340 129.0
[M+HCOO]- 219.066281 155.4
[M+CH3COO]- 233.081931 177.5
[M+Na-2H]- 195.042746 142.5
[M]+ 174.06753142 133.2
[M]- 174.06862858 133.2
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