CID 116413

64048-50-6

Structural Information

Molecular Formula
C8H16N4O2S
SMILES
C1COCCN1C(=O)NCCSC(=N)N
InChI
InChI=1S/C8H16N4O2S/c9-7(10)15-6-1-11-8(13)12-2-4-14-5-3-12/h1-6H2,(H3,9,10)(H,11,13)
InChIKey
DOHGUKLLKBPEJM-UHFFFAOYSA-N
Compound name
2-(morpholine-4-carbonylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0994 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10668 152.1
[M+Na]+ 255.08862 154.5
[M-H]- 231.09212 153.2
[M+NH4]+ 250.13322 166.1
[M+K]+ 271.06256 153.3
[M+H-H2O]+ 215.09666 144.1
[M+HCOO]- 277.09760 166.3
[M+CH3COO]- 291.11325 192.5
[M+Na-2H]- 253.07407 153.7
[M]+ 232.09885 147.2
[M]- 232.09995 147.2
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.