CID 22832002

42014-52-8

Structural Information

Molecular Formula
C8H10BrNO4
SMILES
C1CC(=O)N(C1=O)OC(=O)CCCBr
InChI
InChI=1S/C8H10BrNO4/c9-5-1-2-8(13)14-10-6(11)3-4-7(10)12/h1-5H2
InChIKey
AAGAKYYEPYSBCP-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-bromobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

262.9793 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98658 147.6
[M+Na]+ 285.96852 158.8
[M-H]- 261.97202 152.4
[M+NH4]+ 281.01312 168.3
[M+K]+ 301.94246 149.1
[M+H-H2O]+ 245.97656 147.3
[M+HCOO]- 307.97750 167.1
[M+CH3COO]- 321.99315 189.8
[M+Na-2H]- 283.95397 150.9
[M]+ 262.97875 167.5
[M]- 262.97985 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe