CID 3432603

1-[(2-bromo-3-thienyl)methyl]-5-oxoproline

Structural Information

Molecular Formula
C10H10BrNO3S
SMILES
C1CC(=O)N(C1C(=O)O)CC2=C(SC=C2)Br
InChI
InChI=1S/C10H10BrNO3S/c11-9-6(3-4-16-9)5-12-7(10(14)15)1-2-8(12)13/h3-4,7H,1-2,5H2,(H,14,15)
InChIKey
LUTAUIUJHFZIPL-UHFFFAOYSA-N
Compound name
1-[(2-bromothiophen-3-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.95648 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.963756 155.9
[M+Na]+ 325.945698 168.4
[M-H]- 301.949204 163.7
[M+NH4]+ 320.990303 177.2
[M+K]+ 341.919638 157.3
[M+H-H2O]+ 285.953740 156.9
[M+HCOO]- 347.954681 170.8
[M+CH3COO]- 361.970331 193.3
[M+Na-2H]- 323.931146 154.8
[M]+ 302.95593142 175.6
[M]- 302.95702858 175.6
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.