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]+ 303.96376 155.9
[M+Na]+ 325.94570 168.4
[M-H]- 301.94920 163.7
[M+NH4]+ 320.99030 177.2
[M+K]+ 341.91964 157.3
[M+H-H2O]+ 285.95374 156.9
[M+HCOO]- 347.95468 170.8
[M+CH3COO]- 361.97033 193.3
[M+Na-2H]- 323.93115 154.8
[M]+ 302.95593 175.6
[M]- 302.95703 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.