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]+ 150.05834 127.1
[M+Na]+ 172.04028 135.5
[M-H]- 148.04378 130.5
[M+NH4]+ 167.08488 152.1
[M+K]+ 188.01422 133.8
[M+H-H2O]+ 132.04832 123.1
[M+HCOO]- 194.04926 146.4
[M+CH3COO]- 208.06491 171.1
[M+Na-2H]- 170.02573 129.9
[M]+ 149.05051 126.1
[M]- 149.05161 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