CID 162060

2-(1-hydroxypentyl)cyclopentan-1-one

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCC(C1CCCC1=O)O
InChI
InChI=1S/C10H18O2/c1-2-3-6-9(11)8-5-4-7-10(8)12/h8-9,11H,2-7H2,1H3
InChIKey
DYVAUIYAEICDNS-UHFFFAOYSA-N
Compound name
2-(1-hydroxypentyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

73
Patents

170.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 141.0
[M+Na]+ 193.119898 146.3
[M-H]- 169.123404 142.5
[M+NH4]+ 188.164503 162.4
[M+K]+ 209.093838 144.6
[M+H-H2O]+ 153.127940 135.9
[M+HCOO]- 215.128881 161.0
[M+CH3COO]- 229.144531 177.7
[M+Na-2H]- 191.105346 141.9
[M]+ 170.13013142 139.0
[M]- 170.13122858 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe