CID 3049320

2,6-dimethyl-alpha-2-propenyl-alpha-2-thienyl-1-piperidinebutanenitrile

Structural Information

Molecular Formula
C18H26N2S
SMILES
CC1CCCC(N1CCC(CC=C)(C#N)C2=CC=CS2)C
InChI
InChI=1S/C18H26N2S/c1-4-10-18(14-19,17-9-6-13-21-17)11-12-20-15(2)7-5-8-16(20)3/h4,6,9,13,15-16H,1,5,7-8,10-12H2,2-3H3
InChIKey
AOUMEOYSOVRZDS-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylpent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.18167 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18895 179.0
[M+Na]+ 325.17089 186.7
[M-H]- 301.17439 183.0
[M+NH4]+ 320.21549 193.8
[M+K]+ 341.14483 180.6
[M+H-H2O]+ 285.17893 165.3
[M+HCOO]- 347.17987 188.2
[M+CH3COO]- 361.19552 214.1
[M+Na-2H]- 323.15634 176.1
[M]+ 302.18112 173.6
[M]- 302.18222 173.6
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.