CID 3004918

Nsc662762

Structural Information

Molecular Formula
C11H17NS
SMILES
CC#CCCCC1(CCNC1=S)C
InChI
InChI=1S/C11H17NS/c1-3-4-5-6-7-11(2)8-9-12-10(11)13/h5-9H2,1-2H3,(H,12,13)
InChIKey
VXFFMFGSPFOWSE-UHFFFAOYSA-N
Compound name
3-hex-4-ynyl-3-methylpyrrolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10817 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11545 146.9
[M+Na]+ 218.09739 156.7
[M-H]- 194.10089 147.1
[M+NH4]+ 213.14199 166.8
[M+K]+ 234.07133 151.3
[M+H-H2O]+ 178.10543 136.0
[M+HCOO]- 240.10637 156.1
[M+CH3COO]- 254.12202 187.9
[M+Na-2H]- 216.08284 146.3
[M]+ 195.10762 140.8
[M]- 195.10872 140.8
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.