CID 121597540

4-(bromomethyl)-1-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C6H10BrNO
SMILES
CN1CC(CC1=O)CBr
InChI
InChI=1S/C6H10BrNO/c1-8-4-5(3-7)2-6(8)9/h5H,2-4H2,1H3
InChIKey
ZFTVWEDESDLAGE-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

190.99458 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00186 134.0
[M+Na]+ 213.98380 146.2
[M-H]- 189.98730 139.2
[M+NH4]+ 209.02840 158.0
[M+K]+ 229.95774 136.3
[M+H-H2O]+ 173.99184 134.5
[M+HCOO]- 235.99278 154.2
[M+CH3COO]- 250.00843 179.9
[M+Na-2H]- 211.96925 139.2
[M]+ 190.99403 151.3
[M]- 190.99513 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