CID 417776

Nsc 95244

Structural Information

Molecular Formula
C10H13NOS
SMILES
CN(C)CC1CC2=C(C1=O)SC=C2
InChI
InChI=1S/C10H13NOS/c1-11(2)6-8-5-7-3-4-13-10(7)9(8)12/h3-4,8H,5-6H2,1-2H3
InChIKey
CEPKIOMFHWCQDB-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 143.6
[M+Na]+ 218.06102 152.8
[M-H]- 194.06452 150.3
[M+NH4]+ 213.10562 169.1
[M+K]+ 234.03496 151.2
[M+H-H2O]+ 178.06906 139.1
[M+HCOO]- 240.07000 164.5
[M+CH3COO]- 254.08565 188.0
[M+Na-2H]- 216.04647 144.0
[M]+ 195.07125 147.5
[M]- 195.07235 147.5
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.