CID 70116

Mercury, bis(4-morpholinecarbodithioato)-

Structural Information

Molecular Formula
C5H9NOS2
SMILES
C1COCCN1C(=S)S
InChI
InChI=1S/C5H9NOS2/c8-5(9)6-1-3-7-4-2-6/h1-4H2,(H,8,9)
InChIKey
NRMQMTQTYONMFY-UHFFFAOYSA-N
Compound name
morpholine-4-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

147
Patents

163.01256 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01984 129.2
[M+Na]+ 186.00178 135.7
[M-H]- 162.00528 131.5
[M+NH4]+ 181.04638 147.8
[M+K]+ 201.97572 134.4
[M+H-H2O]+ 146.00982 123.6
[M+HCOO]- 208.01076 137.3
[M+CH3COO]- 222.02641 173.2
[M+Na-2H]- 183.98723 130.4
[M]+ 163.01201 127.4
[M]- 163.01311 127.4
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