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]+ 233.106676 152.1
[M+Na]+ 255.088618 154.5
[M-H]- 231.092124 153.2
[M+NH4]+ 250.133223 166.1
[M+K]+ 271.062558 153.3
[M+H-H2O]+ 215.096660 144.1
[M+HCOO]- 277.097601 166.3
[M+CH3COO]- 291.113251 192.5
[M+Na-2H]- 253.074066 153.7
[M]+ 232.09885142 147.2
[M]- 232.09994858 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.