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]+ 220.033156 143.9
[M+Na]+ 242.015098 154.9
[M-H]- 218.018604 148.8
[M+NH4]+ 237.059703 166.7
[M+K]+ 257.989038 144.9
[M+H-H2O]+ 202.023140 144.0
[M+HCOO]- 264.024081 162.4
[M+CH3COO]- 278.039731 186.4
[M+Na-2H]- 240.000546 146.8
[M]+ 219.02533142 161.1
[M]- 219.02642858 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.