CID 11094679

Schembl924997

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

151
Patents

136.1252 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 130.3
[M+Na]+ 159.11442 138.2
[M-H]- 135.11792 133.9
[M+NH4]+ 154.15902 154.3
[M+K]+ 175.08836 136.4
[M+H-H2O]+ 119.12246 125.3
[M+HCOO]- 181.12340 155.2
[M+CH3COO]- 195.13905 175.9
[M+Na-2H]- 157.09987 135.1
[M]+ 136.12465 131.6
[M]- 136.12575 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