CID 205593

2-(ethylamino)-1-phenyl-1-pentanone

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCC(C(=O)C1=CC=CC=C1)NCC
InChI
InChI=1S/C13H19NO/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11/h5-7,9-10,12,14H,3-4,8H2,1-2H3
InChIKey
QQAHEGDXEXIQPR-UHFFFAOYSA-N
Compound name
2-(ethylamino)-1-phenylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

324
Patents

205.14667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 149.6
[M+Na]+ 228.135888 154.1
[M-H]- 204.139394 152.5
[M+NH4]+ 223.180493 168.0
[M+K]+ 244.109828 152.0
[M+H-H2O]+ 188.143930 142.9
[M+HCOO]- 250.144871 172.2
[M+CH3COO]- 264.160521 191.1
[M+Na-2H]- 226.121336 153.3
[M]+ 205.14612142 149.6
[M]- 205.14721858 149.6
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