CID 4463814

Succinimidyl 3-(bromoacetamido)propionate

Structural Information

Molecular Formula
C9H11BrN2O5
SMILES
C1CC(=O)N(C1=O)OC(=O)CCNC(=O)CBr
InChI
InChI=1S/C9H11BrN2O5/c10-5-6(13)11-4-3-9(16)17-12-7(14)1-2-8(12)15/h1-5H2,(H,11,13)
InChIKey
WGMMKWFUXPMTRW-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-[(2-bromoacetyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4827
Patents

305.98514 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.992416 156.2
[M+Na]+ 328.974358 165.6
[M-H]- 304.977864 160.7
[M+NH4]+ 324.018963 174.5
[M+K]+ 344.948298 155.8
[M+H-H2O]+ 288.982400 154.7
[M+HCOO]- 350.983341 175.5
[M+CH3COO]- 364.998991 198.8
[M+Na-2H]- 326.959806 158.3
[M]+ 305.98459142 175.5
[M]- 305.98568858 175.5
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