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]+ 175.075356 131.6
[M+Na]+ 197.057298 141.5
[M-H]- 173.060804 136.4
[M+NH4]+ 192.101903 154.5
[M+K]+ 213.031238 139.1
[M+H-H2O]+ 157.065340 126.9
[M+HCOO]- 219.066281 152.7
[M+CH3COO]- 233.081931 146.2
[M+Na-2H]- 195.042746 140.9
[M]+ 174.06753142 133.5
[M]- 174.06862858 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.