CID 3050890

67189-28-0

Structural Information

Molecular Formula
C11H15NOS
SMILES
CC1=C(C=C(C=C1)C2NCCS2)OC
InChI
InChI=1S/C11H15NOS/c1-8-3-4-9(7-10(8)13-2)11-12-5-6-14-11/h3-4,7,11-12H,5-6H2,1-2H3
InChIKey
ZCVHKJHWAKWHJR-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-methylphenyl)-1,3-thiazolidine
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 153.3
[M-H]- 208.08015 149.8
[M+NH4]+ 227.12125 165.0
[M+K]+ 248.05059 149.5
[M+H-H2O]+ 192.08469 139.2
[M+HCOO]- 254.08563 161.2
[M+CH3COO]- 268.10128 181.7
[M+Na-2H]- 230.06210 145.6
[M]+ 209.08688 144.8
[M]- 209.08798 144.8
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.