CID 3066861

111532-65-1

Structural Information

Molecular Formula
C5H9NOS2
SMILES
C=COCCNC(=S)S
InChI
InChI=1S/C5H9NOS2/c1-2-7-4-3-6-5(8)9/h2H,1,3-4H2,(H2,6,8,9)
InChIKey
IKUBJHRUCNNVHT-UHFFFAOYSA-N
Compound name
2-ethenoxyethylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.01256 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01984 134.0
[M+Na]+ 186.00178 142.1
[M+NH4]+ 181.04638 142.1
[M+K]+ 201.97572 133.3
[M-H]- 162.00528 134.0
[M+Na-2H]- 183.98723 135.8
[M]+ 163.01201 135.8
[M]- 163.01311 135.8
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