CID 139667464

1,4-diethyl-2-methylcyclopenta-1,3-diene

Structural Information

Molecular Formula
C10H16
SMILES
CCC1=CC(=C(C1)CC)C
InChI
InChI=1S/C10H16/c1-4-9-6-8(3)10(5-2)7-9/h6H,4-5,7H2,1-3H3
InChIKey
UWHVWCONAHWXOA-UHFFFAOYSA-N
Compound name
1,4-diethyl-2-methylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.1252 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.2
[M+Na]+ 159.11442 138.1
[M-H]- 135.11792 133.3
[M+NH4]+ 154.15902 153.7
[M+K]+ 175.08836 136.3
[M+H-H2O]+ 119.12246 124.6
[M+HCOO]- 181.12340 154.2
[M+CH3COO]- 195.13905 176.9
[M+Na-2H]- 157.09987 133.4
[M]+ 136.12465 131.0
[M]- 136.12575 131.0
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.