CID 262055

Nsc95247

Structural Information

Molecular Formula
C11H17NOS
SMILES
CC1(CC2=C(C1O)SC=C2)CN(C)C
InChI
InChI=1S/C11H17NOS/c1-11(7-12(2)3)6-8-4-5-14-9(8)10(11)13/h4-5,10,13H,6-7H2,1-3H3
InChIKey
FQCISXOVQQDYON-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-5-methyl-4,6-dihydrocyclopenta[b]thiophen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

211.10309 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.110366 147.3
[M+Na]+ 234.092308 156.1
[M-H]- 210.095814 152.6
[M+NH4]+ 229.136913 173.5
[M+K]+ 250.066248 154.1
[M+H-H2O]+ 194.100350 143.6
[M+HCOO]- 256.101291 166.1
[M+CH3COO]- 270.116941 188.7
[M+Na-2H]- 232.077756 148.4
[M]+ 211.10254142 150.7
[M]- 211.10363858 150.7
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.