CID 84175030

4-(4-bromophenyl)-3,3-dimethylpyrrolidine hydrochloride

Structural Information

Molecular Formula
C12H16BrN
SMILES
CC1(CNCC1C2=CC=C(C=C2)Br)C
InChI
InChI=1S/C12H16BrN/c1-12(2)8-14-7-11(12)9-3-5-10(13)6-4-9/h3-6,11,14H,7-8H2,1-2H3
InChIKey
YMDHIJBUTRVQTE-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-3,3-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04662 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05390 151.8
[M+Na]+ 276.03584 162.8
[M-H]- 252.03934 158.6
[M+NH4]+ 271.08044 174.5
[M+K]+ 292.00978 150.8
[M+H-H2O]+ 236.04388 152.2
[M+HCOO]- 298.04482 169.9
[M+CH3COO]- 312.06047 166.0
[M+Na-2H]- 274.02129 156.6
[M]+ 253.04607 166.9
[M]- 253.04717 166.9
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.