CID 112692898

2803862-52-2

Structural Information

Molecular Formula
C7H14BrN
SMILES
CN1CCC(C1)CCBr
InChI
InChI=1S/C7H14BrN/c1-9-5-3-7(6-9)2-4-8/h7H,2-6H2,1H3
InChIKey
IEQMHOVFUNPINS-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.03096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03824 138.3
[M+Na]+ 214.02018 149.0
[M-H]- 190.02368 142.9
[M+NH4]+ 209.06478 162.1
[M+K]+ 229.99412 139.1
[M+H-H2O]+ 174.02822 138.4
[M+HCOO]- 236.02916 157.7
[M+CH3COO]- 250.04481 180.8
[M+Na-2H]- 212.00563 143.5
[M]+ 191.03041 154.8
[M]- 191.03151 154.8
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.