CID 172407712

(z)-(2-aminovinyl)sulfanolate

Structural Information

Molecular Formula
C2H5NOS
SMILES
C(=C\SO)\N
InChI
InChI=1S/C2H5NOS/c3-1-2-5-4/h1-2,4H,3H2/b2-1-
InChIKey
UQSAPRQCLBGQDX-UPHRSURJSA-N
Compound name
(Z)-2-hydroxysulfanylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

91.009186 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.016462 113.8
[M+Na]+ 113.998404 121.7
[M-H]- 90.001910 112.8
[M+NH4]+ 109.043009 136.6
[M+K]+ 129.972344 119.7
[M+H-H2O]+ 74.006446 109.5
[M+HCOO]- 136.007387 132.5
[M+CH3COO]- 150.023037 160.7
[M+Na-2H]- 111.983852 117.9
[M]+ 91.00863742 112.4
[M]- 91.00973458 112.4
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

No patent data available for this compound.