CID 10798210

3-bromo-1-cyclopropylpyrrolidin-2-one

Structural Information

Molecular Formula
C7H10BrNO
SMILES
C1CC1N2CCC(C2=O)Br
InChI
InChI=1S/C7H10BrNO/c8-6-3-4-9(7(6)10)5-1-2-5/h5-6H,1-4H2
InChIKey
FLMMYHHUFMMQRD-UHFFFAOYSA-N
Compound name
3-bromo-1-cyclopropylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

202.99458 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.00186 140.4
[M+Na]+ 225.98380 154.0
[M-H]- 201.98730 149.2
[M+NH4]+ 221.02840 159.1
[M+K]+ 241.95774 142.9
[M+H-H2O]+ 185.99184 140.0
[M+HCOO]- 247.99278 160.5
[M+CH3COO]- 262.00843 184.7
[M+Na-2H]- 223.96925 145.2
[M]+ 202.99403 158.3
[M]- 202.99513 158.3
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