CID 485402

60509-38-8

Structural Information

Molecular Formula
C11H16BrN
SMILES
CCCCNCC1=CC=CC=C1Br
InChI
InChI=1S/C11H16BrN/c1-2-3-8-13-9-10-6-4-5-7-11(10)12/h4-7,13H,2-3,8-9H2,1H3
InChIKey
KZVDERULQMGZSD-UHFFFAOYSA-N
Compound name
N-[(2-bromophenyl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

241.04662 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05390 147.9
[M+Na]+ 264.03584 157.6
[M-H]- 240.03934 153.6
[M+NH4]+ 259.08044 168.9
[M+K]+ 280.00978 145.8
[M+H-H2O]+ 224.04388 147.1
[M+HCOO]- 286.04482 170.0
[M+CH3COO]- 300.06047 193.2
[M+Na-2H]- 262.02129 155.3
[M]+ 241.04607 166.5
[M]- 241.04717 166.5
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.