CID 417777

93480-76-3

Structural Information

Molecular Formula
C11H15NOS
SMILES
CC1(CC2=C(C1=O)C=CS2)CN(C)C
InChI
InChI=1S/C11H15NOS/c1-11(7-12(2)3)6-9-8(10(11)13)4-5-14-9/h4-5H,6-7H2,1-3H3
InChIKey
WBSYDCDKHPIOFZ-UHFFFAOYSA-N
Compound name
5-[(dimethylamino)methyl]-5-methyl-6H-cyclopenta[b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 146.4
[M+Na]+ 232.07665 155.9
[M-H]- 208.08015 153.1
[M+NH4]+ 227.12125 173.3
[M+K]+ 248.05059 154.2
[M+H-H2O]+ 192.08469 142.5
[M+HCOO]- 254.08563 166.9
[M+CH3COO]- 268.10128 190.5
[M+Na-2H]- 230.06210 147.8
[M]+ 209.08688 150.9
[M]- 209.08798 150.9
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.