CID 389724

Nsc686316

Structural Information

Molecular Formula
C11H9NOS
SMILES
C1C(N2C=CC=C2C1=O)C3=CSC=C3
InChI
InChI=1S/C11H9NOS/c13-11-6-10(8-3-5-14-7-8)12-4-1-2-9(11)12/h1-5,7,10H,6H2
InChIKey
SSBCVAVDQFNSEM-UHFFFAOYSA-N
Compound name
3-thiophen-3-yl-2,3-dihydropyrrolizin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04048 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 144.2
[M+Na]+ 226.02970 156.6
[M-H]- 202.03320 152.8
[M+NH4]+ 221.07430 169.6
[M+K]+ 242.00364 153.7
[M+H-H2O]+ 186.03774 139.8
[M+HCOO]- 248.03868 166.4
[M+CH3COO]- 262.05433 159.7
[M+Na-2H]- 224.01515 144.2
[M]+ 203.03993 148.8
[M]- 203.04103 148.8
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.