CID 13688

3-(2-piperidinoethyl)-5-methylisoxazole hydrochloride

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC1=CC(=NO1)CCN2CCCCC2
InChI
InChI=1S/C11H18N2O/c1-10-9-11(12-14-10)5-8-13-6-3-2-4-7-13/h9H,2-8H2,1H3
InChIKey
WAFHMWXIPPOZKR-UHFFFAOYSA-N
Compound name
5-methyl-3-(2-piperidin-1-ylethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 144.7
[M+Na]+ 217.131118 150.4
[M-H]- 193.134624 148.3
[M+NH4]+ 212.175723 161.6
[M+K]+ 233.105058 149.3
[M+H-H2O]+ 177.139160 136.4
[M+HCOO]- 239.140101 163.1
[M+CH3COO]- 253.155751 182.4
[M+Na-2H]- 215.116566 148.5
[M]+ 194.14135142 142.5
[M]- 194.14244858 142.5
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.