CID 32196

2-methylthiazolidine

Structural Information

Molecular Formula
C4H9NS
SMILES
CC1NCCS1
InChI
InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3
InChIKey
DQMLFUMEBNHPPB-UHFFFAOYSA-N
Compound name
2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

1130
Patents

103.04557 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.052846 119.1
[M+Na]+ 126.034788 126.7
[M-H]- 102.038294 120.1
[M+NH4]+ 121.079393 142.6
[M+K]+ 142.008728 125.2
[M+H-H2O]+ 86.042830 114.1
[M+HCOO]- 148.043771 135.1
[M+CH3COO]- 162.059421 161.1
[M+Na-2H]- 124.020236 121.4
[M]+ 103.04502142 116.1
[M]- 103.04611858 116.1
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