CID 13569574

7430-89-9

Structural Information

Molecular Formula
C13H14O3
SMILES
COC(=O)CC1CCC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H14O3/c1-16-12(14)8-10-7-6-9-4-2-3-5-11(9)13(10)15/h2-5,10H,6-8H2,1H3
InChIKey
JXGWCLZVVXSVRQ-UHFFFAOYSA-N
Compound name
methyl 2-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

218.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 145.9
[M+Na]+ 241.08352 153.0
[M-H]- 217.08702 150.1
[M+NH4]+ 236.12812 165.5
[M+K]+ 257.05746 150.7
[M+H-H2O]+ 201.09156 139.8
[M+HCOO]- 263.09250 166.2
[M+CH3COO]- 277.10815 188.4
[M+Na-2H]- 239.06897 150.7
[M]+ 218.09375 146.1
[M]- 218.09485 146.1
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