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]+ 210.09471 149.0
[M+Na]+ 232.07665 156.4
[M-H]- 208.08015 154.7
[M+NH4]+ 227.12125 170.7
[M+K]+ 248.05059 154.2
[M+H-H2O]+ 192.08469 142.9
[M+HCOO]- 254.08563 166.2
[M+CH3COO]- 268.10128 183.6
[M+Na-2H]- 230.06210 146.4
[M]+ 209.08688 149.5
[M]- 209.08798 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.