CID 499646

Nsc693149

Structural Information

Molecular Formula
C15H14O2
SMILES
CC(=O)[C]1[CH][CH][C]([CH]1)CCC(=O)[C]2[CH][CH][CH][CH]2
InChI
InChI=1S/C15H14O2/c1-11(16)14-8-6-12(10-14)7-9-15(17)13-4-2-3-5-13/h2-6,8,10H,7,9H2,1H3
InChIKey
MHWIHYKTIQAMOS-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 160.2
[M+Na]+ 249.08860 162.9
[M-H]- 225.09210 165.5
[M+NH4]+ 244.13320 180.8
[M+K]+ 265.06254 160.9
[M+H-H2O]+ 209.09664 154.2
[M+HCOO]- 271.09758 178.7
[M+CH3COO]- 285.11323 191.5
[M+Na-2H]- 247.07405 155.8
[M]+ 226.09883 155.9
[M]- 226.09993 155.9
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

No patent data available for this compound.