CID 138026

(methylcyclopentadienyl)trimethylplatinum

Structural Information

Molecular Formula
C6H8
SMILES
CC1=CCC=C1
InChI
InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4-5H,3H2,1H3
InChIKey
AHQZRFBZJSCKAV-UHFFFAOYSA-N
Compound name
2-methylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

8893
Patents

80.0626 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.069876 112.2
[M+Na]+ 103.05182 120.8
[M-H]- 79.055324 116.2
[M+NH4]+ 98.096423 138.1
[M+K]+ 119.02576 120.2
[M+H-H2O]+ 63.059860 107.7
[M+HCOO]- 125.06080 138.5
[M+CH3COO]- 139.07645 162.7
[M+Na-2H]- 101.03727 119.9
[M]+ 80.062051 111.7
[M]- 80.063149 111.7
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