CID 528174

499109-95-4

Structural Information

Molecular Formula
C9H14
SMILES
CCCCC1=CCC=C1
InChI
InChI=1S/C9H14/c1-2-3-6-9-7-4-5-8-9/h4,7-8H,2-3,5-6H2,1H3
InChIKey
HILJWHUIEBFFEW-UHFFFAOYSA-N
Compound name
2-butylcyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3292
Patents

122.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.11683 126.4
[M+Na]+ 145.09877 133.8
[M-H]- 121.10227 129.9
[M+NH4]+ 140.14337 150.7
[M+K]+ 161.07271 132.3
[M+H-H2O]+ 105.10681 121.3
[M+HCOO]- 167.10775 151.7
[M+CH3COO]- 181.12340 171.8
[M+Na-2H]- 143.08422 132.4
[M]+ 122.10900 127.1
[M]- 122.11010 127.1
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