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]+ 212.11037 147.3
[M+Na]+ 234.09231 156.1
[M-H]- 210.09581 152.6
[M+NH4]+ 229.13691 173.5
[M+K]+ 250.06625 154.1
[M+H-H2O]+ 194.10035 143.6
[M+HCOO]- 256.10129 166.1
[M+CH3COO]- 270.11694 188.7
[M+Na-2H]- 232.07776 148.4
[M]+ 211.10254 150.7
[M]- 211.10364 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.