CID 11984645

5-methylcyclopenta-1,3-diene

Structural Information

Molecular Formula
C6H7
SMILES
C[C-]1C=CC=C1
InChI
InChI=1S/C6H7/c1-6-4-2-3-5-6/h2-5H,1H3/q-1
InChIKey
ZAKSCXKVYUNNHM-UHFFFAOYSA-N
Compound name
5-methylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

79.05477 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 80.062046 112.0
[M+Na]+ 102.043988 120.1
[M-H]- 78.047494 114.2
[M+NH4]+ 97.088593 137.2
[M+K]+ 118.017928 119.5
[M+H-H2O]+ 62.052030 109.9
[M+HCOO]- 124.052971 137.6
[M+CH3COO]- 138.068621 159.7
[M+Na-2H]- 100.029436 118.5
[M]+ 79.05422142 109.1
[M]- 79.05531858 109.1
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