CID 20390982

Ns00000903

Structural Information

Molecular Formula
C4H9N3O2S
SMILES
C(CS)N/C(=C/[N+](=O)[O-])/N
InChI
InChI=1S/C4H9N3O2S/c5-4(3-7(8)9)6-1-2-10/h3,6,10H,1-2,5H2/b4-3+
InChIKey
GBLGNSMCLGRLJD-ONEGZZNKSA-N
Compound name
2-[[(E)-1-amino-2-nitroethenyl]amino]ethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.04155 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.048826 129.2
[M+Na]+ 186.030768 134.3
[M-H]- 162.034274 128.9
[M+NH4]+ 181.075373 148.3
[M+K]+ 202.004708 128.5
[M+H-H2O]+ 146.038810 127.8
[M+HCOO]- 208.039751 149.6
[M+CH3COO]- 222.055401 173.8
[M+Na-2H]- 184.016216 133.3
[M]+ 163.04100142 125.8
[M]- 163.04209858 125.8
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.