CID 3051528

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

Structural Information

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

2D Structure

compound 2d structure
2
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]+ 242.017496 147.3
[M+Na]+ 263.999438 157.7
[M-H]- 240.002944 152.8
[M+NH4]+ 259.044043 169.4
[M+K]+ 279.973378 145.8
[M+H-H2O]+ 224.007480 147.9
[M+HCOO]- 286.008421 164.8
[M+CH3COO]- 300.024071 161.2
[M+Na-2H]- 261.984886 153.3
[M]+ 241.00967142 161.0
[M]- 241.01076858 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.