CID 388522

Nsc683506

Structural Information

Molecular Formula
C10H7NOS
SMILES
CC1=CSC2=C1N3C=CC=C3C2=O
InChI
InChI=1S/C10H7NOS/c1-6-5-13-10-8(6)11-4-2-3-7(11)9(10)12/h2-5H,1H3
InChIKey
HUBAOSNDBZSWPZ-UHFFFAOYSA-N
Compound name
3-methylthieno[2,3-b]pyrrolizin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

189.02484 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03212 139.8
[M+Na]+ 212.01406 154.4
[M-H]- 188.01756 146.8
[M+NH4]+ 207.05866 167.4
[M+K]+ 227.98800 151.4
[M+H-H2O]+ 172.02210 136.7
[M+HCOO]- 234.02304 162.0
[M+CH3COO]- 248.03869 156.2
[M+Na-2H]- 209.99951 141.3
[M]+ 189.02429 147.2
[M]- 189.02539 147.2
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

No patent data available for this compound.