CID 13013879

59691-22-4

Structural Information

Molecular Formula
C11H14O
SMILES
C1C=C[C@@H]2[C@H]1[C@H]3C[C@@H]2C[C@@H]3C=O
InChI
InChI=1S/C11H14O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h1-2,6-11H,3-5H2/t7-,8+,9-,10-,11-/m0/s1
InChIKey
URKXHWZQKOOULP-SSRBZLIGSA-N
Compound name
(1R,2R,6R,7R,8S)-tricyclo[5.2.1.02,6]dec-3-ene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

162.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 138.9
[M+Na]+ 185.093678 147.3
[M-H]- 161.097184 143.1
[M+NH4]+ 180.138283 167.6
[M+K]+ 201.067618 144.4
[M+H-H2O]+ 145.101720 135.6
[M+HCOO]- 207.102661 160.5
[M+CH3COO]- 221.118311 153.0
[M+Na-2H]- 183.079126 140.8
[M]+ 162.10391142 138.5
[M]- 162.10500858 138.5
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.