CID 3052361

1-propanol, 3,3'-(1,8-octanediylbis(thio))bis(2-amino-

Structural Information

Molecular Formula
C14H32N2O2S2
SMILES
C(CCCCSCC(CO)N)CCCSCC(CO)N
InChI
InChI=1S/C14H32N2O2S2/c15-13(9-17)11-19-7-5-3-1-2-4-6-8-20-12-14(16)10-18/h13-14,17-18H,1-12,15-16H2
InChIKey
YUTCQYFHQGLEMP-UHFFFAOYSA-N
Compound name
2-amino-3-[8-(2-amino-3-hydroxypropyl)sulfanyloctylsulfanyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.19052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.197796 174.5
[M+Na]+ 347.179738 174.3
[M-H]- 323.183244 168.2
[M+NH4]+ 342.224343 186.2
[M+K]+ 363.153678 168.1
[M+H-H2O]+ 307.187780 166.8
[M+HCOO]- 369.188721 180.1
[M+CH3COO]- 383.204371 208.5
[M+Na-2H]- 345.165186 168.8
[M]+ 324.18997142 175.2
[M]- 324.19106858 175.2
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

patents stripe