CID 388528

Nsc683512

Structural Information

Molecular Formula
C11H9NOS
SMILES
CC1=C(SC2=C1C(=O)C3=CC=CN32)C
InChI
InChI=1S/C11H9NOS/c1-6-7(2)14-11-9(6)10(13)8-4-3-5-12(8)11/h3-5H,1-2H3
InChIKey
QKWHUSBKSMUXHP-UHFFFAOYSA-N
Compound name
2,3-dimethylthieno[3,2-b]pyrrolizin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 144.0
[M+Na]+ 226.02970 159.0
[M-H]- 202.03320 151.2
[M+NH4]+ 221.07430 171.4
[M+K]+ 242.00364 155.8
[M+H-H2O]+ 186.03774 141.1
[M+HCOO]- 248.03868 165.8
[M+CH3COO]- 262.05433 160.3
[M+Na-2H]- 224.01515 144.5
[M]+ 203.03993 152.2
[M]- 203.04103 152.2
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.