CID 470974

Methylenedispiro[[?]]one

Structural Information

Molecular Formula
C15H18O4
SMILES
C=C1[C@@H]2CC[C@]3(CO3)[C@@H]4CC[C@]5([C@@H]4[C@H]2OC1=O)CO5
InChI
InChI=1S/C15H18O4/c1-8-9-2-4-14(6-17-14)10-3-5-15(7-18-15)11(10)12(9)19-13(8)16/h9-12H,1-7H2/t9-,10+,11-,12-,14-,15+/m0/s1
InChIKey
ILBWNMZWIIFLQI-FIPALRBNSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.1205 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 154.7
[M+Na]+ 285.10972 161.4
[M-H]- 261.11322 165.3
[M+NH4]+ 280.15432 164.3
[M+K]+ 301.08366 163.8
[M+H-H2O]+ 245.11776 152.6
[M+HCOO]- 307.11870 163.0
[M+CH3COO]- 321.13435 164.1
[M+Na-2H]- 283.09517 157.3
[M]+ 262.11995 156.3
[M]- 262.12105 156.3
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.