CID 68340

Taurocyamine

Structural Information

Molecular Formula
C3H9N3O3S
SMILES
C(CS(=O)(=O)O)N=C(N)N
InChI
InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
InChIKey
JKLRIMRKZBSSED-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

142
References

1132
Patents

167.03647 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04375 130.6
[M+Na]+ 190.02569 136.9
[M-H]- 166.02919 130.0
[M+NH4]+ 185.07029 149.6
[M+K]+ 205.99963 135.4
[M+H-H2O]+ 150.03373 124.7
[M+HCOO]- 212.03467 149.9
[M+CH3COO]- 226.05032 179.6
[M+Na-2H]- 188.01114 134.2
[M]+ 167.03592 128.9
[M]- 167.03702 128.9
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