CID 5484506

Tris(butylcyclopentadienyl)yttrium

Structural Information

Molecular Formula
C9H13
SMILES
CCCCC1=CC=C[CH]1
InChI
InChI=1S/C9H13/c1-2-3-6-9-7-4-5-8-9/h4-5,7-8H,2-3,6H2,1H3
InChIKey
XAGYLHSLUZEFMI-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.10172 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.10900 126.2
[M+Na]+ 144.09094 133.6
[M-H]- 120.09444 129.7
[M+NH4]+ 139.13554 150.5
[M+K]+ 160.06488 132.1
[M+H-H2O]+ 104.09898 121.1
[M+HCOO]- 166.09992 151.5
[M+CH3COO]- 180.11557 171.7
[M+Na-2H]- 142.07639 132.2
[M]+ 121.10117 126.8
[M]- 121.10227 126.8
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.