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]+ 195.14918 144.7
[M+Na]+ 217.13112 150.4
[M-H]- 193.13462 148.3
[M+NH4]+ 212.17572 161.6
[M+K]+ 233.10506 149.3
[M+H-H2O]+ 177.13916 136.4
[M+HCOO]- 239.14010 163.1
[M+CH3COO]- 253.15575 182.4
[M+Na-2H]- 215.11657 148.5
[M]+ 194.14135 142.5
[M]- 194.14245 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.