CID 154814300

2551076-39-0

Structural Information

Molecular Formula
C9H12O
SMILES
C1[C@H]2C=C[C@@H]1[C@@H]3[C@H]2CC3O
InChI
InChI=1S/C9H12O/c10-8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-10H,3-4H2/t5-,6+,7+,8?,9-/m1/s1
InChIKey
YFMCPIYUZPMGNA-SVBMCEDBSA-N
Compound name
(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.08882 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 124.3
[M+Na]+ 159.078038 131.9
[M-H]- 135.081544 127.8
[M+NH4]+ 154.122643 145.6
[M+K]+ 175.051978 132.0
[M+H-H2O]+ 119.086080 117.2
[M+HCOO]- 181.087021 144.0
[M+CH3COO]- 195.102671 176.5
[M+Na-2H]- 157.063486 129.3
[M]+ 136.08827142 132.5
[M]- 136.08936858 132.5
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.