CID 3018517

5-[ethyl(2-hydroxyethyl)amino]pentan-2-one

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCN(CCCC(=O)C)CCO
InChI
InChI=1S/C9H19NO2/c1-3-10(7-8-11)6-4-5-9(2)12/h11H,3-8H2,1-2H3
InChIKey
QZNLTZOIQGUVGO-UHFFFAOYSA-N
Compound name
5-[ethyl(2-hydroxyethyl)amino]pentan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.14159 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.4
[M+Na]+ 196.13081 147.3
[M-H]- 172.13431 142.2
[M+NH4]+ 191.17541 162.4
[M+K]+ 212.10475 147.5
[M+H-H2O]+ 156.13885 136.9
[M+HCOO]- 218.13979 164.9
[M+CH3COO]- 232.15544 185.8
[M+Na-2H]- 194.11626 145.5
[M]+ 173.14104 144.9
[M]- 173.14214 144.9
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