CID 16684386

Nsc622231

Structural Information

Molecular Formula
C10H20GaN2O4S2
SMILES
CC(C)(C(C(=O)O)N[Ga-]NC(C(=O)O)C(C)(C)S)S
InChI
InChI=1S/2C5H10NO2S.Ga/c2*1-5(2,9)3(6)4(7)8;/h2*3,6,9H,1-2H3,(H,7,8);/q2*-1;+1
InChIKey
LXXMOJRHVOHDNM-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.01202 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.01930 178.5
[M+Na]+ 388.00124 178.3
[M-H]- 364.00474 171.9
[M+NH4]+ 383.04584 189.4
[M+K]+ 403.97518 175.1
[M+H-H2O]+ 348.00928 173.9
[M+HCOO]- 410.01022 180.9
[M+CH3COO]- 424.02587 203.9
[M+Na-2H]- 385.98669 175.1
[M]+ 365.01147 176.2
[M]- 365.01257 176.2
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.