CID 10304911

Lithium tetramethylcyclopentadienide

Structural Information

Molecular Formula
C9H13
SMILES
CC1=C(C(=C([CH]1)C)C)C
InChI
InChI=1S/C9H13/c1-6-5-7(2)9(4)8(6)3/h5H,1-4H3
InChIKey
JBWHIJRNRDZWQG-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

121.10172 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.10900 123.0
[M+Na]+ 144.09094 133.3
[M-H]- 120.09444 127.8
[M+NH4]+ 139.13554 148.4
[M+K]+ 160.06488 131.8
[M+H-H2O]+ 104.09898 119.0
[M+HCOO]- 166.09992 148.4
[M+CH3COO]- 180.11557 175.0
[M+Na-2H]- 142.07639 127.3
[M]+ 121.10117 124.9
[M]- 121.10227 124.9
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.