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]+ 137.09610 124.3
[M+Na]+ 159.07804 131.9
[M-H]- 135.08154 127.8
[M+NH4]+ 154.12264 145.6
[M+K]+ 175.05198 132.0
[M+H-H2O]+ 119.08608 117.2
[M+HCOO]- 181.08702 144.0
[M+CH3COO]- 195.10267 176.5
[M+Na-2H]- 157.06349 129.3
[M]+ 136.08827 132.5
[M]- 136.08937 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.