CID 13200

Bicyclo[2.2.1]hepta-2,5-dien-7-ol

Structural Information

Molecular Formula
C7H8O
SMILES
C1=CC2C=CC1C2O
InChI
InChI=1S/C7H8O/c8-7-5-1-2-6(7)4-3-5/h1-8H
InChIKey
YKRVEGFRYRZTEY-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hepta-2,5-dien-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

108.05752 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.064796 119.8
[M+Na]+ 131.046738 129.2
[M-H]- 107.050244 122.2
[M+NH4]+ 126.091343 147.5
[M+K]+ 147.020678 127.2
[M+H-H2O]+ 91.054780 116.4
[M+HCOO]- 153.055721 143.5
[M+CH3COO]- 167.071371 135.1
[M+Na-2H]- 129.032186 126.2
[M]+ 108.05697142 119.8
[M]- 108.05806858 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe