CID 161676

30772-79-3

Structural Information

Molecular Formula
C11H16O
SMILES
C1CC2CC1C3C2C(CC3)C=O
InChI
InChI=1S/C11H16O/c12-6-9-3-4-10-7-1-2-8(5-7)11(9)10/h6-11H,1-5H2
InChIKey
USPJNXWHVJTDJW-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

953
Patents

164.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 140.9
[M+Na]+ 187.10934 148.3
[M-H]- 163.11284 144.7
[M+NH4]+ 182.15394 169.4
[M+K]+ 203.08328 145.5
[M+H-H2O]+ 147.11738 137.6
[M+HCOO]- 209.11832 161.0
[M+CH3COO]- 223.13397 154.4
[M+Na-2H]- 185.09479 141.8
[M]+ 164.11957 139.0
[M]- 164.12067 139.0
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

patents stripe