CID 284897

2-(4-bromophenyl)-1-methylpyrrolidine

Structural Information

Molecular Formula
C11H14BrN
SMILES
CN1CCCC1C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrN/c1-13-8-2-3-11(13)9-4-6-10(12)7-5-9/h4-7,11H,2-3,8H2,1H3
InChIKey
RIEICTJOEICJJT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

239.03096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 148.4
[M+Na]+ 262.02018 159.4
[M-H]- 238.02368 156.3
[M+NH4]+ 257.06478 170.4
[M+K]+ 277.99412 148.4
[M+H-H2O]+ 222.02822 148.1
[M+HCOO]- 284.02916 168.2
[M+CH3COO]- 298.04481 188.7
[M+Na-2H]- 260.00563 153.1
[M]+ 239.03041 164.6
[M]- 239.03151 164.6
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

patents stripe