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]+ 163.11174 138.9
[M+Na]+ 185.09368 147.3
[M-H]- 161.09718 143.1
[M+NH4]+ 180.13828 167.6
[M+K]+ 201.06762 144.4
[M+H-H2O]+ 145.10172 135.6
[M+HCOO]- 207.10266 160.5
[M+CH3COO]- 221.11831 153.0
[M+Na-2H]- 183.07913 140.8
[M]+ 162.10391 138.5
[M]- 162.10501 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.