CID 53440

76103-68-9

Structural Information

Molecular Formula
C11H15NOS
SMILES
CN1CCCC1CC(=O)C2=CC=CS2
InChI
InChI=1S/C11H15NOS/c1-12-6-2-4-9(12)8-10(13)11-5-3-7-14-11/h3,5,7,9H,2,4,6,8H2,1H3
InChIKey
HBZZDRWGYYYGLY-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrolidin-2-yl)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.094706 149.0
[M+Na]+ 232.076648 156.4
[M-H]- 208.080154 154.7
[M+NH4]+ 227.121253 170.7
[M+K]+ 248.050588 154.2
[M+H-H2O]+ 192.084690 142.9
[M+HCOO]- 254.085631 166.2
[M+CH3COO]- 268.101281 183.6
[M+Na-2H]- 230.062096 146.4
[M]+ 209.08688142 149.5
[M]- 209.08797858 149.5
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.