CID 81148238

2742660-96-2

Structural Information

Molecular Formula
C8H10BrNS
SMILES
C1CC(NC1)C2=CSC(=C2)Br
InChI
InChI=1S/C8H10BrNS/c9-8-4-6(5-11-8)7-2-1-3-10-7/h4-5,7,10H,1-3H2
InChIKey
XOGXBHWAVZMOLT-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-3-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.97173 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.979006 140.5
[M+Na]+ 253.960948 153.0
[M-H]- 229.964454 148.1
[M+NH4]+ 249.005553 164.7
[M+K]+ 269.934888 141.8
[M+H-H2O]+ 213.968990 141.6
[M+HCOO]- 275.969931 156.3
[M+CH3COO]- 289.985581 155.9
[M+Na-2H]- 251.946396 142.2
[M]+ 230.97118142 157.0
[M]- 230.97227858 157.0
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.