CID 16727461

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

Structural Information

Molecular Formula
C12H28N2S2
SMILES
CCC(CSC)NCCNC(CC)CSC
InChI
InChI=1S/C12H28N2S2/c1-5-11(9-15-3)13-7-8-14-12(6-2)10-16-4/h11-14H,5-10H2,1-4H3
InChIKey
SALIGYUNOZOQMI-UHFFFAOYSA-N
Compound name
N,N'-bis(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.1694 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17668 161.9
[M+Na]+ 287.15862 163.9
[M-H]- 263.16212 160.4
[M+NH4]+ 282.20322 178.3
[M+K]+ 303.13256 159.9
[M+H-H2O]+ 247.16666 154.5
[M+HCOO]- 309.16760 171.7
[M+CH3COO]- 323.18325 204.8
[M+Na-2H]- 285.14407 159.0
[M]+ 264.16885 164.9
[M]- 264.16995 164.9
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.