CID 10084148

Nhs-bib

Structural Information

Molecular Formula
C8H10BrNO4
SMILES
CC(C)(C(=O)ON1C(=O)CCC1=O)Br
InChI
InChI=1S/C8H10BrNO4/c1-8(2,9)7(13)14-10-5(11)3-4-6(10)12/h3-4H2,1-2H3
InChIKey
QBJWGGWPQPRVKW-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

262.9793 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98658 148.1
[M+Na]+ 285.96852 159.7
[M-H]- 261.97202 153.3
[M+NH4]+ 281.01312 169.0
[M+K]+ 301.94246 150.4
[M+H-H2O]+ 245.97656 148.7
[M+HCOO]- 307.97750 166.1
[M+CH3COO]- 321.99315 190.1
[M+Na-2H]- 283.95397 152.3
[M]+ 262.97875 167.6
[M]- 262.97985 167.6
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