CID 576054

1,3-methanopentalene, 1,2,3,5-tetrahydro-

Structural Information

Molecular Formula
C9H10
SMILES
C1C=C2C3CC(C3)C2=C1
InChI
InChI=1S/C9H10/c1-2-8-6-4-7(5-6)9(8)3-1/h2-3,6-7H,1,4-5H2
InChIKey
ZKIMCLXHVUQTBB-UHFFFAOYSA-N
Compound name
tricyclo[5.1.1.02,6]nona-2,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.07825 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.085526 123.0
[M+Na]+ 141.067468 130.8
[M-H]- 117.070974 128.0
[M+NH4]+ 136.112073 148.3
[M+K]+ 157.041408 131.4
[M+H-H2O]+ 101.075510 116.8
[M+HCOO]- 163.076451 144.8
[M+CH3COO]- 177.092101 138.0
[M+Na-2H]- 139.052916 129.4
[M]+ 118.07770142 135.6
[M]- 118.07879858 135.6
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.