CID 3058788

75606-58-5

Structural Information

Molecular Formula
C9H15NS
SMILES
CC#CCCC1(NCCS1)C
InChI
InChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h10H,5-8H2,1-2H3
InChIKey
QVTUSLBFEMQWLF-UHFFFAOYSA-N
Compound name
2-methyl-2-pent-3-ynyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.099786 139.9
[M+Na]+ 192.081728 149.6
[M-H]- 168.085234 140.1
[M+NH4]+ 187.126333 160.6
[M+K]+ 208.055668 145.1
[M+H-H2O]+ 152.089770 129.0
[M+HCOO]- 214.090711 149.7
[M+CH3COO]- 228.106361 182.4
[M+Na-2H]- 190.067176 140.9
[M]+ 169.09196142 133.5
[M]- 169.09305858 133.5
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.