CID 24844023

102612-86-2

Structural Information

Molecular Formula
C7H16N4OS
SMILES
C1COCCN1NCCSC(=N)N
InChI
InChI=1S/C7H16N4OS/c8-7(9)13-6-1-10-11-2-4-12-5-3-11/h10H,1-6H2,(H3,8,9)
InChIKey
BOGSLNOLZGFOGL-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10448 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11176 144.1
[M+Na]+ 227.09370 146.9
[M-H]- 203.09720 145.2
[M+NH4]+ 222.13830 159.3
[M+K]+ 243.06764 145.5
[M+H-H2O]+ 187.10174 136.3
[M+HCOO]- 249.10268 159.2
[M+CH3COO]- 263.11833 188.5
[M+Na-2H]- 225.07915 147.2
[M]+ 204.10393 138.8
[M]- 204.10503 138.9
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.