CID 66775

Methylcyclopentadiene

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

28
References

14303
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 113.1
[M+Na]+ 103.05182 125.7
[M+NH4]+ 98.096423 123.6
[M+K]+ 119.02576 120.5
[M-H]- 79.055324 115.8
[M+Na-2H]- 101.03727 120.8
[M]+ 80.062051 115.6
[M]- 80.063149 115.6
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