CID 575623

63445-61-4

Structural Information

Molecular Formula
C16H19NO
SMILES
CC1C(N(CCC1=O)CC#CC2=CC=CC=C2)C
InChI
InChI=1S/C16H19NO/c1-13-14(2)17(12-10-16(13)18)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,10-12H2,1-2H3
InChIKey
JDZCKHMDNBZPDT-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.153946 156.1
[M+Na]+ 264.135888 165.1
[M-H]- 240.139394 158.7
[M+NH4]+ 259.180493 170.6
[M+K]+ 280.109828 158.5
[M+H-H2O]+ 224.143930 142.5
[M+HCOO]- 286.144871 169.3
[M+CH3COO]- 300.160521 200.2
[M+Na-2H]- 262.121336 157.4
[M]+ 241.14612142 148.0
[M]- 241.14721858 148.0
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.