CID 7739

5-diethylamino-2-pentanone

Structural Information

Molecular Formula
C9H19NO
SMILES
CCN(CC)CCCC(=O)C
InChI
InChI=1S/C9H19NO/c1-4-10(5-2)8-6-7-9(3)11/h4-8H2,1-3H3
InChIKey
GRGNJBKJCVOFEO-UHFFFAOYSA-N
Compound name
5-(diethylamino)pentan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

606
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 138.8
[M+Na]+ 180.135888 144.1
[M-H]- 156.139394 140.1
[M+NH4]+ 175.180493 160.2
[M+K]+ 196.109828 144.8
[M+H-H2O]+ 140.143930 133.3
[M+HCOO]- 202.144871 162.5
[M+CH3COO]- 216.160521 186.6
[M+Na-2H]- 178.121336 142.4
[M]+ 157.14612142 141.8
[M]- 157.14721858 141.8
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