CID 83542301

3-(4-bromophenyl)-4-methylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC1CNCC1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrN/c1-8-6-13-7-11(8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
InChIKey
QXUJIOLCDXSPIW-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-4-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 151.2
[M+Na]+ 262.02018 154.2
[M+NH4]+ 257.06478 156.7
[M+K]+ 277.99412 154.5
[M-H]- 238.02368 152.9
[M+Na-2H]- 260.00563 154.5
[M]+ 239.03041 150.9
[M]- 239.03151 150.9
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.