CID 13394147

2-pyrrolidinone, 3-methyl-5-(2-thienylmethyl)-, trans-

Structural Information

Molecular Formula
C10H13NOS
SMILES
C[C@@H]1C[C@H](NC1=O)CC2=CC=CS2
InChI
InChI=1S/C10H13NOS/c1-7-5-8(11-10(7)12)6-9-3-2-4-13-9/h2-4,7-8H,5-6H2,1H3,(H,11,12)/t7-,8+/m1/s1
InChIKey
WMFWNCRXGCDGSS-SFYZADRCSA-N
Compound name
(3R,5S)-3-methyl-5-(thiophen-2-ylmethyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0718 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 143.7
[M+Na]+ 218.06102 152.4
[M-H]- 194.06452 148.5
[M+NH4]+ 213.10562 165.7
[M+K]+ 234.03496 149.0
[M+H-H2O]+ 178.06906 138.3
[M+HCOO]- 240.07000 160.9
[M+CH3COO]- 254.08565 178.3
[M+Na-2H]- 216.04647 141.8
[M]+ 195.07125 143.1
[M]- 195.07235 143.1
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.