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]+ 254.053896 151.8
[M+Na]+ 276.035838 162.8
[M-H]- 252.039344 158.6
[M+NH4]+ 271.080443 174.5
[M+K]+ 292.009778 150.8
[M+H-H2O]+ 236.043880 152.2
[M+HCOO]- 298.044821 169.9
[M+CH3COO]- 312.060471 166.0
[M+Na-2H]- 274.021286 156.6
[M]+ 253.04607142 166.9
[M]- 253.04716858 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.