CID 43117821

5-amino-5-(4-bromophenyl)pentanoic acid hydrochloride

Structural Information

Molecular Formula
C11H14BrNO2
SMILES
C1=CC(=CC=C1C(CCCC(=O)O)N)Br
InChI
InChI=1S/C11H14BrNO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)
InChIKey
BWMXQJCDAUPEQL-UHFFFAOYSA-N
Compound name
5-amino-5-(4-bromophenyl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.02078 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02806 155.1
[M+Na]+ 294.01000 163.7
[M-H]- 270.01350 159.0
[M+NH4]+ 289.05460 173.5
[M+K]+ 309.98394 151.9
[M+H-H2O]+ 254.01804 153.9
[M+HCOO]- 316.01898 173.8
[M+CH3COO]- 330.03463 194.7
[M+Na-2H]- 291.99545 158.4
[M]+ 271.02023 171.7
[M]- 271.02133 171.7
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.