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

11
Patents

159.04663 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 130.6
[M+Na]+ 182.03585 136.6
[M-H]- 158.03935 132.4
[M+NH4]+ 177.08045 149.9
[M+K]+ 198.00979 134.2
[M+H-H2O]+ 142.04389 124.1
[M+HCOO]- 204.04483 148.0
[M+CH3COO]- 218.06048 176.6
[M+Na-2H]- 180.02130 134.7
[M]+ 159.04608 126.1
[M]- 159.04718 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