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

985
Patents

164.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 140.9
[M+Na]+ 187.109338 148.3
[M-H]- 163.112844 144.7
[M+NH4]+ 182.153943 169.4
[M+K]+ 203.083278 145.5
[M+H-H2O]+ 147.117380 137.6
[M+HCOO]- 209.118321 161.0
[M+CH3COO]- 223.133971 154.4
[M+Na-2H]- 185.094786 141.8
[M]+ 164.11957142 139.0
[M]- 164.12066858 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