CID 12524096

3-hydroxydecan-2-one

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCCCC(C(=O)C)O
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h10,12H,3-8H2,1-2H3
InChIKey
WQMUDPTXGSGWFD-UHFFFAOYSA-N
Compound name
3-hydroxydecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

172.14633 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 143.4
[M+Na]+ 195.13555 148.4
[M-H]- 171.13905 141.7
[M+NH4]+ 190.18015 163.1
[M+K]+ 211.10949 147.5
[M+H-H2O]+ 155.14359 138.5
[M+HCOO]- 217.14453 163.1
[M+CH3COO]- 231.16018 181.3
[M+Na-2H]- 193.12100 145.3
[M]+ 172.14578 145.2
[M]- 172.14688 145.2
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