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

2
Patents

219.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.8
[M+Na]+ 242.15153 158.3
[M-H]- 218.15503 157.9
[M+NH4]+ 237.19613 172.4
[M+K]+ 258.12547 156.9
[M+H-H2O]+ 202.15957 146.6
[M+HCOO]- 264.16051 177.6
[M+CH3COO]- 278.17616 196.8
[M+Na-2H]- 240.13698 157.5
[M]+ 219.16176 156.1
[M]- 219.16286 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