CID 16495052

1-[(2-bromophenyl)methyl]piperidine

Structural Information

Molecular Formula
C12H16BrN
SMILES
C1CCN(CC1)CC2=CC=CC=C2Br
InChI
InChI=1S/C12H16BrN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChIKey
YHPWAILJEPQMRO-UHFFFAOYSA-N
Compound name
1-[(2-bromophenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

253.04662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.053896 151.2
[M+Na]+ 276.035838 159.6
[M-H]- 252.039344 158.0
[M+NH4]+ 271.080443 170.3
[M+K]+ 292.009778 148.4
[M+H-H2O]+ 236.043880 150.2
[M+HCOO]- 298.044821 168.4
[M+CH3COO]- 312.060471 190.8
[M+Na-2H]- 274.021286 157.5
[M]+ 253.04607142 165.2
[M]- 253.04716858 165.2
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