CID 102898

2886-89-7

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC3C(C2CC4C1O4)O3
InChI
InChI=1S/C9H12O2/c1-4-2-8-9(11-8)5(4)3-7-6(1)10-7/h4-9H,1-3H2
InChIKey
MGAKFFHPSIQGDC-UHFFFAOYSA-N
Compound name
4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

256
Patents

152.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 141.7
[M+Na]+ 175.072938 151.1
[M-H]- 151.076444 149.1
[M+NH4]+ 170.117543 153.2
[M+K]+ 191.046878 150.6
[M+H-H2O]+ 135.080980 136.5
[M+HCOO]- 197.081921 155.0
[M+CH3COO]- 211.097571 152.8
[M+Na-2H]- 173.058386 147.4
[M]+ 152.08317142 146.2
[M]- 152.08426858 146.2
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