CID 71300246

6-bromo-n-[(4-methylphenyl)methyl]hexanamide

Structural Information

Molecular Formula
C14H20BrNO
SMILES
CC1=CC=C(C=C1)CNC(=O)CCCCCBr
InChI
InChI=1S/C14H20BrNO/c1-12-6-8-13(9-7-12)11-16-14(17)5-3-2-4-10-15/h6-9H,2-5,10-11H2,1H3,(H,16,17)
InChIKey
DHJZREVFLSEFSL-UHFFFAOYSA-N
Compound name
6-bromo-N-[(4-methylphenyl)methyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0728 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08008 164.0
[M+Na]+ 320.06202 172.5
[M-H]- 296.06552 169.3
[M+NH4]+ 315.10662 182.8
[M+K]+ 336.03596 160.3
[M+H-H2O]+ 280.07006 162.5
[M+HCOO]- 342.07100 184.6
[M+CH3COO]- 356.08665 202.8
[M+Na-2H]- 318.04747 168.6
[M]+ 297.07225 183.7
[M]- 297.07335 183.7
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.