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

18
Patents

174.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 133.8
[M+Na]+ 197.05730 143.5
[M-H]- 173.06080 137.8
[M+NH4]+ 192.10190 156.8
[M+K]+ 213.03124 140.3
[M+H-H2O]+ 157.06534 129.0
[M+HCOO]- 219.06628 155.4
[M+CH3COO]- 233.08193 177.5
[M+Na-2H]- 195.04275 142.5
[M]+ 174.06753 133.2
[M]- 174.06863 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