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]+ 137.132476 129.2
[M+Na]+ 159.114418 138.1
[M-H]- 135.117924 133.3
[M+NH4]+ 154.159023 153.7
[M+K]+ 175.088358 136.3
[M+H-H2O]+ 119.122460 124.6
[M+HCOO]- 181.123401 154.2
[M+CH3COO]- 195.139051 176.9
[M+Na-2H]- 157.099866 133.4
[M]+ 136.12465142 131.0
[M]- 136.12574858 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.