CID 11062321

1-hydroxypentan-3-one

Structural Information

Molecular Formula
C5H10O2
SMILES
CCC(=O)CCO
InChI
InChI=1S/C5H10O2/c1-2-5(7)3-4-6/h6H,2-4H2,1H3
InChIKey
TYXULUBCBKMSSK-UHFFFAOYSA-N
Compound name
1-hydroxypentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

293
Patents

102.06808 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 119.7
[M+Na]+ 125.05730 129.7
[M+NH4]+ 120.10190 127.4
[M+K]+ 141.03124 125.1
[M-H]- 101.06080 118.4
[M+Na-2H]- 123.04275 123.2
[M]+ 102.06753 120.5
[M]- 102.06863 120.5
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