CID 82108592

3-bromo-1-(pyrrolidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C7H12BrNO
SMILES
C1CCN(C1)C(=O)CCBr
InChI
InChI=1S/C7H12BrNO/c8-4-3-7(10)9-5-1-2-6-9/h1-6H2
InChIKey
OFISMAFOCGCIQX-UHFFFAOYSA-N
Compound name
3-bromo-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

205.01022 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01750 141.2
[M+Na]+ 227.99944 151.0
[M-H]- 204.00294 145.6
[M+NH4]+ 223.04404 164.0
[M+K]+ 243.97338 141.4
[M+H-H2O]+ 188.00748 141.0
[M+HCOO]- 250.00842 160.1
[M+CH3COO]- 264.02407 180.8
[M+Na-2H]- 225.98489 145.8
[M]+ 205.00967 157.4
[M]- 205.01077 157.4
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