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

33
Patents

162.99966 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00694 129.0
[M+Na]+ 185.98888 140.5
[M-H]- 161.99238 134.0
[M+NH4]+ 181.03348 153.9
[M+K]+ 201.96282 131.2
[M+H-H2O]+ 145.99692 129.6
[M+HCOO]- 207.99786 149.1
[M+CH3COO]- 222.01351 175.1
[M+Na-2H]- 183.97433 135.3
[M]+ 162.99911 144.9
[M]- 163.00021 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