CID 3058784

75606-54-1

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 135.8
[M+Na]+ 208.07665 144.1
[M+NH4]+ 203.12125 141.4
[M+K]+ 224.05059 134.1
[M-H]- 184.08015 127.7
[M+Na-2H]- 206.06210 137.2
[M]+ 185.08688 134.1
[M]- 185.08798 134.1
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.