CID 55289628

1864058-54-7

Structural Information

Molecular Formula
C5H11NO2S
SMILES
C1CC(S(=O)(=O)C1)CN
InChI
InChI=1S/C5H11NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-4,6H2
InChIKey
KEVGTNCSNMGZGG-UHFFFAOYSA-N
Compound name
(1,1-dioxothiolan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

149.05106 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.058336 127.1
[M+Na]+ 172.040278 135.5
[M-H]- 148.043784 130.5
[M+NH4]+ 167.084883 152.1
[M+K]+ 188.014218 133.8
[M+H-H2O]+ 132.048320 123.1
[M+HCOO]- 194.049261 146.4
[M+CH3COO]- 208.064911 171.1
[M+Na-2H]- 170.025726 129.9
[M]+ 149.05051142 126.1
[M]- 149.05160858 126.1
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

patents stripe