CID 13361081

Ethylamine, 2,2'-((alpha-methylbenzylidene)dithio)bis-

Structural Information

Molecular Formula
C12H20N2S2
SMILES
CC(C1=CC=CC=C1)(SCCN)SCCN
InChI
InChI=1S/C12H20N2S2/c1-12(15-9-7-13,16-10-8-14)11-5-3-2-4-6-11/h2-6H,7-10,13-14H2,1H3
InChIKey
PHVWHVWGHGRGSB-UHFFFAOYSA-N
Compound name
2-[1-(2-aminoethylsulfanyl)-1-phenylethyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10678 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11406 155.7
[M+Na]+ 279.09600 160.7
[M-H]- 255.09950 156.9
[M+NH4]+ 274.14060 172.1
[M+K]+ 295.06994 154.5
[M+H-H2O]+ 239.10404 148.7
[M+HCOO]- 301.10498 167.2
[M+CH3COO]- 315.12063 197.6
[M+Na-2H]- 277.08145 156.7
[M]+ 256.10623 155.3
[M]- 256.10733 155.3
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.