CID 105510

1-hydroxydecan-3-one

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCCC(=O)CCO
InChI
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-10(12)8-9-11/h11H,2-9H2,1H3
InChIKey
XDFCZUMLNOYOCH-UHFFFAOYSA-N
Compound name
1-hydroxydecan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1234
Patents

172.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 141.9
[M+Na]+ 195.13555 150.9
[M+NH4]+ 190.18015 148.7
[M+K]+ 211.10949 145.0
[M-H]- 171.13905 140.4
[M+Na-2H]- 193.12100 144.0
[M]+ 172.14578 142.4
[M]- 172.14688 142.4
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