CID 135499450

Nsc660053

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C/C(=C(/C=N/C(=S)N)\C(=O)N)/O
InChI
InChI=1S/C6H9N3O2S/c1-3(10)4(5(7)11)2-9-6(8)12/h2,10H,1H3,(H2,7,11)(H2,8,12)/b4-3+,9-2+
InChIKey
OZFYXZFUEVNHEK-KSMJZWKFSA-N
Compound name
(E)-2-[(E)-carbamothioyliminomethyl]-3-hydroxybut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04155 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 141.5
[M+Na]+ 210.03077 146.0
[M-H]- 186.03427 140.6
[M+NH4]+ 205.07537 159.5
[M+K]+ 226.00471 144.0
[M+H-H2O]+ 170.03881 135.1
[M+HCOO]- 232.03975 158.2
[M+CH3COO]- 246.05540 186.7
[M+Na-2H]- 208.01622 139.2
[M]+ 187.04100 137.3
[M]- 187.04210 137.3
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.