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]+ 210.094706 145.4
[M+Na]+ 232.076648 153.3
[M-H]- 208.080154 149.8
[M+NH4]+ 227.121253 165.0
[M+K]+ 248.050588 149.5
[M+H-H2O]+ 192.084690 139.2
[M+HCOO]- 254.085631 161.2
[M+CH3COO]- 268.101281 181.7
[M+Na-2H]- 230.062096 145.6
[M]+ 209.08688142 144.8
[M]- 209.08797858 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.