CID 69528327

(5r)-5-(bromomethyl)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H10BrNO
SMILES
CN1[C@H](CCC1=O)CBr
InChI
InChI=1S/C6H10BrNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3/t5-/m1/s1
InChIKey
JUPATYQJRQJNSF-RXMQYKEDSA-N
Compound name
(5R)-5-(bromomethyl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

190.99458 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.001856 134.0
[M+Na]+ 213.983798 146.2
[M-H]- 189.987304 139.2
[M+NH4]+ 209.028403 158.0
[M+K]+ 229.957738 136.3
[M+H-H2O]+ 173.991840 134.5
[M+HCOO]- 235.992781 154.2
[M+CH3COO]- 250.008431 179.9
[M+Na-2H]- 211.969246 139.2
[M]+ 190.99403142 151.3
[M]- 190.99512858 151.3
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