CID 69144198

5-(4-bromophenyl)pyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1C(CNC1C2=CC=C(C=C2)Br)O
InChI
InChI=1S/C10H12BrNO/c11-8-3-1-7(2-4-8)10-5-9(13)6-12-10/h1-4,9-10,12-13H,5-6H2
InChIKey
ZSCYVRUHGGJQFC-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

241.01022 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 148.5
[M+Na]+ 263.99944 158.8
[M-H]- 240.00294 153.8
[M+NH4]+ 259.04404 168.8
[M+K]+ 279.97338 146.6
[M+H-H2O]+ 224.00748 148.4
[M+HCOO]- 286.00842 165.8
[M+CH3COO]- 300.02407 162.1
[M+Na-2H]- 261.98489 152.7
[M]+ 241.00967 162.0
[M]- 241.01077 162.0
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

patents stripe