CID 227731

Nsc19696

Structural Information

Molecular Formula
C4H9NOS2
SMILES
CN(C)COC(=S)S
InChI
InChI=1S/C4H9NOS2/c1-5(2)3-6-4(7)8/h3H2,1-2H3,(H,7,8)
InChIKey
PATSFJGHRCHJTO-UHFFFAOYSA-N
Compound name
(dimethylamino)methoxymethanedithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.01256 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01984 127.9
[M+Na]+ 174.00178 134.9
[M-H]- 150.00528 129.7
[M+NH4]+ 169.04638 149.8
[M+K]+ 189.97572 133.9
[M+H-H2O]+ 134.00982 122.2
[M+HCOO]- 196.01076 141.2
[M+CH3COO]- 210.02641 179.6
[M+Na-2H]- 171.98723 128.4
[M]+ 151.01201 131.4
[M]- 151.01311 131.4
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.