CID 82619011

4-(3-aminopropyl)-2-bromophenol hydrochloride

Structural Information

Molecular Formula
C9H12BrNO
SMILES
C1=CC(=C(C=C1CCCN)Br)O
InChI
InChI=1S/C9H12BrNO/c10-8-6-7(2-1-5-11)3-4-9(8)12/h3-4,6,12H,1-2,5,11H2
InChIKey
JKMJNNOTXYLSJO-UHFFFAOYSA-N
Compound name
4-(3-aminopropyl)-2-bromophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 143.3
[M+Na]+ 251.99944 146.0
[M+NH4]+ 247.04404 148.1
[M+K]+ 267.97338 145.7
[M-H]- 228.00294 144.2
[M+Na-2H]- 249.98489 146.3
[M]+ 229.00967 142.7
[M]- 229.01077 142.7
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.