CID 13361080

Brn 5504010

Structural Information

Molecular Formula
C17H38N2S2
SMILES
CC(C)CCC(CCC(C)C)(SC(C)CN)SC(C)CN
InChI
InChI=1S/C17H38N2S2/c1-13(2)7-9-17(10-8-14(3)4,20-15(5)11-18)21-16(6)12-19/h13-16H,7-12,18-19H2,1-6H3
InChIKey
NRVHVODMUCVZTG-UHFFFAOYSA-N
Compound name
2-[5-(1-aminopropan-2-ylsulfanyl)-2,8-dimethylnonan-5-yl]sulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.24765 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25493 184.1
[M+Na]+ 357.23687 183.6
[M-H]- 333.24037 180.6
[M+NH4]+ 352.28147 196.9
[M+K]+ 373.21081 179.2
[M+H-H2O]+ 317.24491 176.5
[M+HCOO]- 379.24585 187.5
[M+CH3COO]- 393.26150 220.1
[M+Na-2H]- 355.22232 176.0
[M]+ 334.24710 185.2
[M]- 334.24820 185.2
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.