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

38
Patents

202.99458 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.001856 140.4
[M+Na]+ 225.983798 154.0
[M-H]- 201.987304 149.2
[M+NH4]+ 221.028403 159.1
[M+K]+ 241.957738 142.9
[M+H-H2O]+ 185.991840 140.0
[M+HCOO]- 247.992781 160.5
[M+CH3COO]- 262.008431 184.7
[M+Na-2H]- 223.969246 145.2
[M]+ 202.99403142 158.3
[M]- 202.99512858 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