CID 24694542

1-[(2-bromophenyl)methyl]piperidin-4-one

Structural Information

Molecular Formula
C12H14BrNO
SMILES
C1CN(CCC1=O)CC2=CC=CC=C2Br
InChI
InChI=1S/C12H14BrNO/c13-12-4-2-1-3-10(12)9-14-7-5-11(15)6-8-14/h1-4H,5-9H2
InChIKey
REJYKLLPTNVXPI-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

267.02588 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.033156 152.3
[M+Na]+ 290.015098 161.8
[M-H]- 266.018604 159.5
[M+NH4]+ 285.059703 171.1
[M+K]+ 305.989038 150.5
[M+H-H2O]+ 250.023140 151.3
[M+HCOO]- 312.024081 169.9
[M+CH3COO]- 326.039731 192.9
[M+Na-2H]- 288.000546 158.0
[M]+ 267.02533142 167.4
[M]- 267.02642858 167.4
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