CID 3050854

2-(3-methoxyphenyl)thiazolidine

Structural Information

Molecular Formula
C10H13NOS
SMILES
COC1=CC=CC(=C1)C2NCCS2
InChI
InChI=1S/C10H13NOS/c1-12-9-4-2-3-8(7-9)10-11-5-6-13-10/h2-4,7,10-11H,5-6H2,1H3
InChIKey
MAZFHPGDLDKIHS-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.0718 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 141.2
[M+Na]+ 218.06102 148.6
[M-H]- 194.06452 145.3
[M+NH4]+ 213.10562 161.0
[M+K]+ 234.03496 145.1
[M+H-H2O]+ 178.06906 134.9
[M+HCOO]- 240.07000 157.4
[M+CH3COO]- 254.08565 153.7
[M+Na-2H]- 216.04647 142.5
[M]+ 195.07125 139.8
[M]- 195.07235 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe