CID 11094679

184687-62-5

Structural Information

Molecular Formula
C10H16
SMILES
CCCCC1=CCC(=C1)C
InChI
InChI=1S/C10H16/c1-3-4-5-10-7-6-9(2)8-10/h7-8H,3-6H2,1-2H3
InChIKey
OSRFUMBNIRJIKU-UHFFFAOYSA-N
Compound name
3-butyl-1-methylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

165
Patents

136.1252 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 130.3
[M+Na]+ 159.114418 138.2
[M-H]- 135.117924 133.9
[M+NH4]+ 154.159023 154.3
[M+K]+ 175.088358 136.4
[M+H-H2O]+ 119.122460 125.3
[M+HCOO]- 181.123401 155.2
[M+CH3COO]- 195.139051 175.9
[M+Na-2H]- 157.099866 135.1
[M]+ 136.12465142 131.6
[M]- 136.12574858 131.6
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

patents stripe