CID 178244310

1,3-dihydroxy-1-(propan-2-ylideneamino)thiourea

Structural Information

Molecular Formula
C4H9N3O2S
SMILES
CC(=NN(C(=S)NO)O)C
InChI
InChI=1S/C4H9N3O2S/c1-3(2)5-7(9)4(10)6-8/h8-9H,1-2H3,(H,6,10)
InChIKey
VOXKWPVFPKTXLY-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-1-(propan-2-ylideneamino)thiourea
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 133.7
[M+Na]+ 186.030768 138.7
[M-H]- 162.034274 134.2
[M+NH4]+ 181.075373 153.5
[M+K]+ 202.004708 138.6
[M+H-H2O]+ 146.038810 127.4
[M+HCOO]- 208.039751 153.0
[M+CH3COO]- 222.055401 182.6
[M+Na-2H]- 184.016216 135.6
[M]+ 163.04100142 132.8
[M]- 163.04209858 132.8
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.