CID 129982016

1824465-73-7

Structural Information

Molecular Formula
C5H12N2O2S
SMILES
CN1C(CCS1(=O)=O)CN
InChI
InChI=1S/C5H12N2O2S/c1-7-5(4-6)2-3-10(7,8)9/h5H,2-4,6H2,1H3
InChIKey
OXNDZRMJSBSWLA-UHFFFAOYSA-N
Compound name
(2-methyl-1,1-dioxo-1,2-thiazolidin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.06195 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.069226 129.8
[M+Na]+ 187.051168 139.2
[M-H]- 163.054674 132.2
[M+NH4]+ 182.095773 153.2
[M+K]+ 203.025108 137.4
[M+H-H2O]+ 147.059210 125.3
[M+HCOO]- 209.060151 147.9
[M+CH3COO]- 223.075801 175.0
[M+Na-2H]- 185.036616 132.0
[M]+ 164.06140142 129.7
[M]- 164.06249858 129.7
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.