CID 129981818

4-(bromomethyl)-1-(propan-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H14BrNO
SMILES
CC(C)N1CC(CC1=O)CBr
InChI
InChI=1S/C8H14BrNO/c1-6(2)10-5-7(4-9)3-8(10)11/h6-7H,3-5H2,1-2H3
InChIKey
SZJNOFURICOGSN-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.02588 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.03316 143.9
[M+Na]+ 242.01510 154.9
[M-H]- 218.01860 148.8
[M+NH4]+ 237.05970 166.7
[M+K]+ 257.98904 144.9
[M+H-H2O]+ 202.02314 144.0
[M+HCOO]- 264.02408 162.4
[M+CH3COO]- 278.03973 186.4
[M+Na-2H]- 240.00055 146.8
[M]+ 219.02533 161.1
[M]- 219.02643 161.1
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

No patent data available for this compound.