CID 56737774

3-(bromomethyl)-1-methylpyrrolidine hydrobromide

Structural Information

Molecular Formula
C6H12BrN
SMILES
CN1CCC(C1)CBr
InChI
InChI=1S/C6H12BrN/c1-8-3-2-6(4-7)5-8/h6H,2-5H2,1H3
InChIKey
XMDSIBKGPUQEBM-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

177.0153 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.022576 133.7
[M+Na]+ 200.004518 144.8
[M-H]- 176.008024 138.5
[M+NH4]+ 195.049123 158.0
[M+K]+ 215.978458 135.2
[M+H-H2O]+ 160.012560 134.0
[M+HCOO]- 222.013501 153.4
[M+CH3COO]- 236.029151 178.0
[M+Na-2H]- 197.989966 139.4
[M]+ 177.01475142 149.9
[M]- 177.01584858 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