CID 62758882

1342634-06-3

Structural Information

Molecular Formula
C11H17N3OS
SMILES
CC(=O)N1CCC(CC1)NCC2=CN=CS2
InChI
InChI=1S/C11H17N3OS/c1-9(15)14-4-2-10(3-5-14)13-7-11-6-12-8-16-11/h6,8,10,13H,2-5,7H2,1H3
InChIKey
WHUTXVJLWRXHAI-UHFFFAOYSA-N
Compound name
1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10924 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11652 154.0
[M+Na]+ 262.09846 159.5
[M-H]- 238.10196 157.5
[M+NH4]+ 257.14306 170.8
[M+K]+ 278.07240 156.5
[M+H-H2O]+ 222.10650 146.0
[M+HCOO]- 284.10744 168.7
[M+CH3COO]- 298.12309 190.4
[M+Na-2H]- 260.08391 153.7
[M]+ 239.10869 151.8
[M]- 239.10979 151.8
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.