CID 243075

1-cyclopentylbutan-1-one

Structural Information

Molecular Formula
C9H16O
SMILES
CCCC(=O)C1CCCC1
InChI
InChI=1S/C9H16O/c1-2-5-9(10)8-6-3-4-7-8/h8H,2-7H2,1H3
InChIKey
GUXITNMMJFSULS-UHFFFAOYSA-N
Compound name
1-cyclopentylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 133.5
[M+Na]+ 163.10934 138.7
[M-H]- 139.11284 136.2
[M+NH4]+ 158.15394 156.6
[M+K]+ 179.08328 137.9
[M+H-H2O]+ 123.11738 128.2
[M+HCOO]- 185.11832 155.2
[M+CH3COO]- 199.13397 174.3
[M+Na-2H]- 161.09479 136.0
[M]+ 140.11957 131.2
[M]- 140.12067 131.2
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