CID 470924

1-morpholino-2-pyrazin-2-yl-ethanethione

Structural Information

Molecular Formula
C10H13N3OS
SMILES
C1COCCN1C(=S)CC2=NC=CN=C2
InChI
InChI=1S/C10H13N3OS/c15-10(13-3-5-14-6-4-13)7-9-8-11-1-2-12-9/h1-2,8H,3-7H2
InChIKey
NGIRBIWMUKNNMB-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-pyrazin-2-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.07793 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 148.0
[M+Na]+ 246.06715 154.1
[M-H]- 222.07065 150.4
[M+NH4]+ 241.11175 160.9
[M+K]+ 262.04109 151.7
[M+H-H2O]+ 206.07519 139.1
[M+HCOO]- 268.07613 159.1
[M+CH3COO]- 282.09178 158.5
[M+Na-2H]- 244.05260 151.4
[M]+ 223.07738 145.6
[M]- 223.07848 145.6
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.