CID 113828

63732-15-0

Structural Information

Molecular Formula
C15H21NS2
SMILES
CCN(C)C(C)CC(C1=CC=CS1)C2=CC=CS2
InChI
InChI=1S/C15H21NS2/c1-4-16(3)12(2)11-13(14-7-5-9-17-14)15-8-6-10-18-15/h5-10,12-13H,4,11H2,1-3H3
InChIKey
FUIJBYFYYDMJSQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-methyl-4,4-dithiophen-2-ylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.11154 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11882 168.2
[M+Na]+ 302.10076 175.4
[M-H]- 278.10426 176.7
[M+NH4]+ 297.14536 189.1
[M+K]+ 318.07470 172.3
[M+H-H2O]+ 262.10880 161.8
[M+HCOO]- 324.10974 183.8
[M+CH3COO]- 338.12539 203.2
[M+Na-2H]- 300.08621 164.3
[M]+ 279.11099 173.9
[M]- 279.11209 173.9
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.