CID 86427

1-butanone, 4-(diethylamino)-1-phenyl-

Structural Information

Molecular Formula
C14H21NO
SMILES
CCN(CC)CCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H21NO/c1-3-15(4-2)12-8-11-14(16)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKey
BXENNERVHQAIAY-UHFFFAOYSA-N
Compound name
4-(diethylamino)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

219.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 153.8
[M+Na]+ 242.151528 158.3
[M-H]- 218.155034 157.9
[M+NH4]+ 237.196133 172.4
[M+K]+ 258.125468 156.9
[M+H-H2O]+ 202.159570 146.6
[M+HCOO]- 264.160511 177.6
[M+CH3COO]- 278.176161 196.8
[M+Na-2H]- 240.136976 157.5
[M]+ 219.16176142 156.1
[M]- 219.16285858 156.1
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