CID 23388530

61940-56-5

Structural Information

Molecular Formula
C6H15NS
SMILES
CCN(CC)CSC
InChI
InChI=1S/C6H15NS/c1-4-7(5-2)6-8-3/h4-6H2,1-3H3
InChIKey
OFKMJTXGZQSFBT-UHFFFAOYSA-N
Compound name
N-ethyl-N-(methylsulfanylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

133.09251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09979 128.4
[M+Na]+ 156.08173 134.9
[M-H]- 132.08523 130.3
[M+NH4]+ 151.12633 151.4
[M+K]+ 172.05567 135.0
[M+H-H2O]+ 116.08977 123.0
[M+HCOO]- 178.09071 148.0
[M+CH3COO]- 192.10636 179.5
[M+Na-2H]- 154.06718 131.4
[M]+ 133.09196 132.2
[M]- 133.09306 132.2
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