CID 3058786

75606-56-3

Structural Information

Molecular Formula
C9H15NS
SMILES
CC1(NCCS1)CCCC#C
InChI
InChI=1S/C9H15NS/c1-3-4-5-6-9(2)10-7-8-11-9/h1,10H,4-8H2,2H3
InChIKey
UMXBPUMDAXXPNW-UHFFFAOYSA-N
Compound name
2-methyl-2-pent-4-ynyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.09251 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09979 139.6
[M+Na]+ 192.08173 149.1
[M-H]- 168.08523 139.7
[M+NH4]+ 187.12633 160.1
[M+K]+ 208.05567 144.6
[M+H-H2O]+ 152.08977 128.6
[M+HCOO]- 214.09071 149.3
[M+CH3COO]- 228.10636 183.0
[M+Na-2H]- 190.06718 140.5
[M]+ 169.09196 133.3
[M]- 169.09306 133.3
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.