CID 145916021

N-butylhexedrone

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCCC(C(=O)C1=CC=CC=C1)NCCCC
InChI
InChI=1S/C16H25NO/c1-3-5-12-15(17-13-6-4-2)16(18)14-10-8-7-9-11-14/h7-11,15,17H,3-6,12-13H2,1-2H3
InChIKey
UCYMCSGVJDYDIO-UHFFFAOYSA-N
Compound name
2-(butylamino)-1-phenylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 163.5
[M+Na]+ 270.18284 166.7
[M-H]- 246.18634 165.7
[M+NH4]+ 265.22744 180.2
[M+K]+ 286.15678 163.8
[M+H-H2O]+ 230.19088 156.1
[M+HCOO]- 292.19182 185.1
[M+CH3COO]- 306.20747 200.1
[M+Na-2H]- 268.16829 165.6
[M]+ 247.19307 164.6
[M]- 247.19417 164.6
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.