CID 474249

Thiiranemethanamine, n,n-diethyl-

Structural Information

Molecular Formula
C7H15NS
SMILES
CCN(CC)CC1CS1
InChI
InChI=1S/C7H15NS/c1-3-8(4-2)5-7-6-9-7/h7H,3-6H2,1-2H3
InChIKey
UZOUOXJAKKFUKI-UHFFFAOYSA-N
Compound name
N-ethyl-N-(thiiran-2-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

145.09251 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 127.5
[M+Na]+ 168.08173 135.4
[M-H]- 144.08523 133.4
[M+NH4]+ 163.12633 145.1
[M+K]+ 184.05567 134.2
[M+H-H2O]+ 128.08977 120.9
[M+HCOO]- 190.09071 147.5
[M+CH3COO]- 204.10636 184.2
[M+Na-2H]- 166.06718 131.1
[M]+ 145.09196 132.7
[M]- 145.09306 132.7
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.