CID 145867154

1878953-79-7

Structural Information

Molecular Formula
C10H19NOS
SMILES
CC1CCC(N1C(=O)CCSC)C
InChI
InChI=1S/C10H19NOS/c1-8-4-5-9(2)11(8)10(12)6-7-13-3/h8-9H,4-7H2,1-3H3
InChIKey
VQXNIYSFQAUZCR-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylpyrrolidin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.11873 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12601 147.1
[M+Na]+ 224.10795 154.2
[M-H]- 200.11145 149.3
[M+NH4]+ 219.15255 167.9
[M+K]+ 240.08189 152.3
[M+H-H2O]+ 184.11599 141.4
[M+HCOO]- 246.11693 162.0
[M+CH3COO]- 260.13258 185.2
[M+Na-2H]- 222.09340 144.6
[M]+ 201.11818 148.9
[M]- 201.11928 148.9
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.