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

4
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

literature stripe

Patent stripe

patents stripe