CID 22616983

2-(bromomethyl)-1-methylpyrrolidine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
CN1CCCC1CBr
InChI
InChI=1S/C6H12BrN/c1-8-4-2-3-6(8)5-7/h6H,2-5H2,1H3
InChIKey
RALAMZZQDJIIJX-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.0153 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.02258 133.7
[M+Na]+ 200.00452 144.8
[M-H]- 176.00802 138.5
[M+NH4]+ 195.04912 158.0
[M+K]+ 215.97846 135.2
[M+H-H2O]+ 160.01256 134.0
[M+HCOO]- 222.01350 153.4
[M+CH3COO]- 236.02915 178.0
[M+Na-2H]- 197.98997 139.4
[M]+ 177.01475 149.9
[M]- 177.01585 149.9
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

patents stripe