CID 131850106

Alpha-propylaminopentiophenone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.169586 154.2
[M+Na]+ 242.151528 158.3
[M-H]- 218.155034 156.9
[M+NH4]+ 237.196133 172.1
[M+K]+ 258.125468 156.0
[M+H-H2O]+ 202.159570 147.3
[M+HCOO]- 264.160511 176.5
[M+CH3COO]- 278.176161 194.1
[M+Na-2H]- 240.136976 157.4
[M]+ 219.16176142 154.6
[M]- 219.16285858 154.6
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

No patent data available for this compound.