CID 3072574

143380-86-3

Structural Information

Molecular Formula
C14H21NOS
SMILES
CC1CCCN(C1)CCCC(=O)C2=CC=CS2
InChI
InChI=1S/C14H21NOS/c1-12-5-2-8-15(11-12)9-3-6-13(16)14-7-4-10-17-14/h4,7,10,12H,2-3,5-6,8-9,11H2,1H3
InChIKey
UBNKZCQEMYHZCN-UHFFFAOYSA-N
Compound name
4-(3-methylpiperidin-1-yl)-1-thiophen-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.13438 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14166 160.1
[M+Na]+ 274.12360 165.0
[M-H]- 250.12710 164.6
[M+NH4]+ 269.16820 178.1
[M+K]+ 290.09754 161.6
[M+H-H2O]+ 234.13164 152.8
[M+HCOO]- 296.13258 174.1
[M+CH3COO]- 310.14823 192.5
[M+Na-2H]- 272.10905 157.6
[M]+ 251.13383 159.2
[M]- 251.13493 159.2
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.