CID 469936

Di(isopropylaminoethyl)sulfide

Structural Information

Molecular Formula
C10H24N2S
SMILES
CC(C)NCCSCCNC(C)C
InChI
InChI=1S/C10H24N2S/c1-9(2)11-5-7-13-8-6-12-10(3)4/h9-12H,5-8H2,1-4H3
InChIKey
MPQQNSKIIYDJRN-UHFFFAOYSA-N
Compound name
N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

204.16602 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17330 151.2
[M+Na]+ 227.15524 154.3
[M-H]- 203.15874 150.6
[M+NH4]+ 222.19984 170.1
[M+K]+ 243.12918 152.6
[M+H-H2O]+ 187.16328 144.6
[M+HCOO]- 249.16422 167.8
[M+CH3COO]- 263.17987 194.4
[M+Na-2H]- 225.14069 150.8
[M]+ 204.16547 152.9
[M]- 204.16657 152.9
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.