CID 204662

16763-44-3

Structural Information

Molecular Formula
C11H15NOS
SMILES
CCC1(NCCS1)C2=CC=CC=C2O
InChI
InChI=1S/C11H15NOS/c1-2-11(12-7-8-14-11)9-5-3-4-6-10(9)13/h3-6,12-13H,2,7-8H2,1H3
InChIKey
NPFRGGNPCMCMLK-UHFFFAOYSA-N
Compound name
2-(2-ethyl-1,3-thiazolidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 145.4
[M+Na]+ 232.07665 152.9
[M-H]- 208.08015 148.3
[M+NH4]+ 227.12125 166.0
[M+K]+ 248.05059 148.4
[M+H-H2O]+ 192.08469 140.0
[M+HCOO]- 254.08563 159.8
[M+CH3COO]- 268.10128 157.3
[M+Na-2H]- 230.06210 147.2
[M]+ 209.08688 143.0
[M]- 209.08798 143.0
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.