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]+ 186.09471 144.4
[M+Na]+ 208.07665 153.6
[M-H]- 184.08015 143.3
[M+NH4]+ 203.12125 163.8
[M+K]+ 224.05059 148.7
[M+H-H2O]+ 168.08469 133.7
[M+HCOO]- 230.08563 153.0
[M+CH3COO]- 244.10128 181.1
[M+Na-2H]- 206.06210 145.0
[M]+ 185.08688 137.5
[M]- 185.08798 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.