CID 136229112

148639-72-9

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CN=C1C(=NO)SCCN1
InChI
InChI=1S/C5H9N3OS/c1-6-4-5(8-9)10-3-2-7-4/h9H,2-3H2,1H3,(H,6,7)
InChIKey
IFDRXBBBALHODS-UHFFFAOYSA-N
Compound name
N-(3-methyliminothiomorpholin-2-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

159.04663 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 130.6
[M+Na]+ 182.035848 136.6
[M-H]- 158.039354 132.4
[M+NH4]+ 177.080453 149.9
[M+K]+ 198.009788 134.2
[M+H-H2O]+ 142.043890 124.1
[M+HCOO]- 204.044831 148.0
[M+CH3COO]- 218.060481 176.6
[M+Na-2H]- 180.021296 134.7
[M]+ 159.04608142 126.1
[M]- 159.04717858 126.1
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

patents stripe