CID 3049319

Brn 1377647

Structural Information

Molecular Formula
C15H24N2S
SMILES
CCN(CC)CCC(C#N)(C1=CC=CS1)C(C)C
InChI
InChI=1S/C15H24N2S/c1-5-17(6-2)10-9-15(12-16,13(3)4)14-8-7-11-18-14/h7-8,11,13H,5-6,9-10H2,1-4H3
InChIKey
ABBMMYSSECBMOV-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16602 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17330 161.1
[M+Na]+ 287.15524 169.1
[M+NH4]+ 282.19984 165.8
[M+K]+ 303.12918 160.3
[M-H]- 263.15874 155.7
[M+Na-2H]- 285.14069 162.8
[M]+ 264.16547 160.2
[M]- 264.16657 160.2
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

No patent data available for this compound.