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

123
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 152.0
[M+Na]+ 285.96852 151.3
[M+NH4]+ 281.01312 154.1
[M+K]+ 301.94246 155.8
[M-H]- 261.97202 148.6
[M+Na-2H]- 283.95397 150.7
[M]+ 262.97875 149.3
[M]- 262.97985 149.3
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

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