CID 18694

4-(diethylamino)butan-2-one

Structural Information

Molecular Formula
C8H17NO
SMILES
CCN(CC)CCC(=O)C
InChI
InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
InChIKey
XLEOCTUCGZANAC-UHFFFAOYSA-N
Compound name
4-(diethylamino)butan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

143.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.0
[M+Na]+ 166.12023 139.8
[M-H]- 142.12373 135.6
[M+NH4]+ 161.16483 156.1
[M+K]+ 182.09417 140.8
[M+H-H2O]+ 126.12827 128.8
[M+HCOO]- 188.12921 158.2
[M+CH3COO]- 202.14486 183.5
[M+Na-2H]- 164.10568 138.3
[M]+ 143.13046 136.7
[M]- 143.13156 136.7
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