CID 60635073

3-(methylsulfanyl)-1-(pyrrolidin-1-yl)propan-1-one

Structural Information

Molecular Formula
C8H15NOS
SMILES
CSCCC(=O)N1CCCC1
InChI
InChI=1S/C8H15NOS/c1-11-7-4-8(10)9-5-2-3-6-9/h2-7H2,1H3
InChIKey
SOBQOXOPEQLDIT-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.08743 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.094706 139.8
[M+Na]+ 196.076648 146.0
[M-H]- 172.080154 141.6
[M+NH4]+ 191.121253 161.1
[M+K]+ 212.050588 144.7
[M+H-H2O]+ 156.084690 133.7
[M+HCOO]- 218.085631 155.4
[M+CH3COO]- 232.101281 177.0
[M+Na-2H]- 194.062096 139.4
[M]+ 173.08688142 140.1
[M]- 173.08797858 140.1
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

patents stripe