CID 16727463

N,n'-bis[1-(methylsulfinylmethyl)propyl]ethane-1,2-diamine

Structural Information

Molecular Formula
C12H28N2O2S2
SMILES
CCC(CS(=O)C)NCCNC(CC)CS(=O)C
InChI
InChI=1S/C12H28N2O2S2/c1-5-11(9-17(3)15)13-7-8-14-12(6-2)10-18(4)16/h11-14H,5-10H2,1-4H3
InChIKey
ABYGRXIIANRSRM-UHFFFAOYSA-N
Compound name
N,N'-bis(1-methylsulfinylbutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1592 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16648 169.6
[M+Na]+ 319.14842 171.0
[M-H]- 295.15192 167.8
[M+NH4]+ 314.19302 184.1
[M+K]+ 335.12236 167.6
[M+H-H2O]+ 279.15646 161.9
[M+HCOO]- 341.15740 177.9
[M+CH3COO]- 355.17305 208.8
[M+Na-2H]- 317.13387 164.9
[M]+ 296.15865 172.7
[M]- 296.15975 172.7
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

No patent data available for this compound.