CID 49622

67227-14-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 154.0
[M+Na]+ 242.15153 158.3
[M-H]- 218.15503 158.2
[M+NH4]+ 237.19613 172.5
[M+K]+ 258.12547 157.4
[M+H-H2O]+ 202.15957 147.0
[M+HCOO]- 264.16051 176.8
[M+CH3COO]- 278.17616 197.6
[M+Na-2H]- 240.13698 156.5
[M]+ 219.16176 155.7
[M]- 219.16286 155.7
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

No patent data available for this compound.