CID 3058784

5-(2-methyl-1,3-thiazolidin-2-yl)pent-2-yn-1-ol

Structural Information

Molecular Formula
C9H15NOS
SMILES
CC1(NCCS1)CCC#CCO
InChI
InChI=1S/C9H15NOS/c1-9(10-6-8-12-9)5-3-2-4-7-11/h10-11H,3,5-8H2,1H3
InChIKey
QRFBXXLDIGRJMW-UHFFFAOYSA-N
Compound name
5-(2-methyl-1,3-thiazolidin-2-yl)pent-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.08743 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.094706 144.4
[M+Na]+ 208.076648 153.6
[M-H]- 184.080154 143.3
[M+NH4]+ 203.121253 163.8
[M+K]+ 224.050588 148.7
[M+H-H2O]+ 168.084690 133.7
[M+HCOO]- 230.085631 153.0
[M+CH3COO]- 244.101281 181.1
[M+Na-2H]- 206.062096 145.0
[M]+ 185.08688142 137.5
[M]- 185.08797858 137.5
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.