CID 4860905

N-aminomorpholine-4-carbothioamide

Structural Information

Molecular Formula
C5H11N3OS
SMILES
C1COCCN1C(=S)NN
InChI
InChI=1S/C5H11N3OS/c6-7-5(10)8-1-3-9-4-2-8/h1-4,6H2,(H,7,10)
InChIKey
ACWSTHNVQZSSGQ-UHFFFAOYSA-N
Compound name
morpholine-4-carbothiohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

161.06229 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06957 133.1
[M+Na]+ 184.05151 137.8
[M-H]- 160.05501 134.8
[M+NH4]+ 179.09611 150.5
[M+K]+ 200.02545 137.0
[M+H-H2O]+ 144.05955 126.3
[M+HCOO]- 206.06049 147.9
[M+CH3COO]- 220.07614 176.5
[M+Na-2H]- 182.03696 136.5
[M]+ 161.06174 127.8
[M]- 161.06284 127.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe