CID 105511382

[3-(4-bromophenyl)pyrrolidin-3-yl]methanol hydrochloride

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CNCC1(CO)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)11(8-14)5-6-13-7-11/h1-4,13-14H,5-8H2
InChIKey
NJRIFCIZEVLVJD-UHFFFAOYSA-N
Compound name
[3-(4-bromophenyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

255.02588 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 156.5
[M+Na]+ 278.01510 158.2
[M+NH4]+ 273.05970 162.3
[M+K]+ 293.98904 157.6
[M-H]- 254.01860 157.2
[M+Na-2H]- 276.00055 160.2
[M]+ 255.02533 155.7
[M]- 255.02643 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.