CID 13726279

3-bromo-1-methylpyrrolidine

Structural Information

Molecular Formula
C5H10BrN
SMILES
CN1CCC(C1)Br
InChI
InChI=1S/C5H10BrN/c1-7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKey
ZHUYTHOKJZSZQJ-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

162.99966 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.006936 129.0
[M+Na]+ 185.988878 140.5
[M-H]- 161.992384 134.0
[M+NH4]+ 181.033483 153.9
[M+K]+ 201.962818 131.2
[M+H-H2O]+ 145.996920 129.6
[M+HCOO]- 207.997861 149.1
[M+CH3COO]- 222.013511 175.1
[M+Na-2H]- 183.974326 135.3
[M]+ 162.99911142 144.9
[M]- 163.00020858 144.9
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