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 142.9
[M+Na]+ 251.99944 153.7
[M-H]- 228.00294 147.5
[M+NH4]+ 247.04404 163.6
[M+K]+ 267.97338 141.5
[M+H-H2O]+ 212.00748 142.5
[M+HCOO]- 274.00842 163.8
[M+CH3COO]- 288.02407 187.4
[M+Na-2H]- 249.98489 149.1
[M]+ 229.00967 159.7
[M]- 229.01077 159.7
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.