CID 361594

Nsc624775

Structural Information

Molecular Formula
C11H10O2
SMILES
C1CC2=COC3=C2C(=C(C=C3)O)C1
InChI
InChI=1S/C11H10O2/c12-9-4-5-10-11-7(6-13-10)2-1-3-8(9)11/h4-6,12H,1-3H2
InChIKey
VBZSOGWQKAZHKH-UHFFFAOYSA-N
Compound name
2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06808 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 131.6
[M+Na]+ 197.05730 141.5
[M-H]- 173.06080 136.4
[M+NH4]+ 192.10190 154.5
[M+K]+ 213.03124 139.1
[M+H-H2O]+ 157.06534 126.9
[M+HCOO]- 219.06628 152.7
[M+CH3COO]- 233.08193 146.2
[M+Na-2H]- 195.04275 140.9
[M]+ 174.06753 133.5
[M]- 174.06863 133.5
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.