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

literature stripe

Patent stripe

patents stripe