CID 13361078

1-propylamine, 2,2'-((6,6-undecylidene)dithio)bis-

Structural Information

Molecular Formula
C17H38N2S2
SMILES
CCCCCC(CCCCC)(SC(C)CN)SC(C)CN
InChI
InChI=1S/C17H38N2S2/c1-5-7-9-11-17(12-10-8-6-2,20-15(3)13-18)21-16(4)14-19/h15-16H,5-14,18-19H2,1-4H3
InChIKey
ULGNZDPZPJSEKO-UHFFFAOYSA-N
Compound name
2-[6-(1-aminopropan-2-ylsulfanyl)undecan-6-ylsulfanyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.24765 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25493 183.5
[M+Na]+ 357.23687 183.6
[M-H]- 333.24037 179.9
[M+NH4]+ 352.28147 196.5
[M+K]+ 373.21081 178.1
[M+H-H2O]+ 317.24491 175.7
[M+HCOO]- 379.24585 189.1
[M+CH3COO]- 393.26150 218.5
[M+Na-2H]- 355.22232 177.3
[M]+ 334.24710 185.7
[M]- 334.24820 185.7
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.