CID 201240

Brn 0149334

Structural Information

Molecular Formula
C12H14O3
SMILES
C1C2(CO1)COC(OC2)C3=CC=CC=C3
InChI
InChI=1S/C12H14O3/c1-2-4-10(5-3-1)11-14-8-12(9-15-11)6-13-7-12/h1-5,11H,6-9H2
InChIKey
YBVCSHYBKWDNLD-UHFFFAOYSA-N
Compound name
7-phenyl-2,6,8-trioxaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 132.0
[M+Na]+ 229.08352 136.8
[M-H]- 205.08702 142.0
[M+NH4]+ 224.12812 142.5
[M+K]+ 245.05746 142.1
[M+H-H2O]+ 189.09156 121.1
[M+HCOO]- 251.09250 149.2
[M+CH3COO]- 265.10815 145.0
[M+Na-2H]- 227.06897 142.6
[M]+ 206.09375 139.2
[M]- 206.09485 139.2
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

No patent data available for this compound.