CID 591417

Tricyclo[4.3.1.0,3,8]decan-4-one

Structural Information

Molecular Formula
C10H14O
SMILES
C1C2CC3CC1CC(=O)C3C2
InChI
InChI=1S/C10H14O/c11-10-5-7-1-6-2-8(3-7)9(10)4-6/h6-9H,1-5H2
InChIKey
BYLLPDFBHUIPKF-UHFFFAOYSA-N
Compound name
tricyclo[4.3.1.03,8]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

150.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.9
[M+Na]+ 173.093678 137.1
[M-H]- 149.097184 131.9
[M+NH4]+ 168.138283 157.4
[M+K]+ 189.067618 134.3
[M+H-H2O]+ 133.101720 126.7
[M+HCOO]- 195.102661 146.8
[M+CH3COO]- 209.118311 143.7
[M+Na-2H]- 171.079126 137.0
[M]+ 150.10391142 127.9
[M]- 150.10500858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe