CID 4352910

2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H20N2S
SMILES
CC1CCN(CC1)C(CN)C2=CC=CS2
InChI
InChI=1S/C12H20N2S/c1-10-4-6-14(7-5-10)11(9-13)12-3-2-8-15-12/h2-3,8,10-11H,4-7,9,13H2,1H3
InChIKey
HJPGNUUFVKJORI-UHFFFAOYSA-N
Compound name
2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.141996 152.0
[M+Na]+ 247.123938 156.8
[M-H]- 223.127444 156.2
[M+NH4]+ 242.168543 170.6
[M+K]+ 263.097878 153.4
[M+H-H2O]+ 207.131980 144.8
[M+HCOO]- 269.132921 166.5
[M+CH3COO]- 283.148571 189.5
[M+Na-2H]- 245.109386 150.2
[M]+ 224.13417142 148.0
[M]- 224.13526858 148.0
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.