CID 84153647

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

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1CNCC1(C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C10H12BrNO/c11-9-3-1-2-8(6-9)10(13)4-5-12-7-10/h1-3,6,12-13H,4-5,7H2
InChIKey
CUESKQLGGLPUKC-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 147.3
[M+Na]+ 263.99944 157.7
[M-H]- 240.00294 152.8
[M+NH4]+ 259.04404 169.4
[M+K]+ 279.97338 145.8
[M+H-H2O]+ 224.00748 147.9
[M+HCOO]- 286.00842 164.8
[M+CH3COO]- 300.02407 161.2
[M+Na-2H]- 261.98489 153.3
[M]+ 241.00967 161.0
[M]- 241.01077 161.0
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

No patent data available for this compound.