CID 90087237

1-(dimethylamino)-5-hydroxypentan-2-one

Structural Information

Molecular Formula
C7H15NO2
SMILES
CN(C)CC(=O)CCCO
InChI
InChI=1S/C7H15NO2/c1-8(2)6-7(10)4-3-5-9/h9H,3-6H2,1-2H3
InChIKey
ADHHOYHLHUSNQA-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-5-hydroxypentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

145.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.1
[M+Na]+ 168.09950 138.8
[M-H]- 144.10300 133.3
[M+NH4]+ 163.14410 154.2
[M+K]+ 184.07344 139.6
[M+H-H2O]+ 128.10754 128.0
[M+HCOO]- 190.10848 156.3
[M+CH3COO]- 204.12413 179.7
[M+Na-2H]- 166.08495 137.3
[M]+ 145.10973 134.8
[M]- 145.11083 134.8
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