CID 48104

Alpha-7-chloro-2-(2-piperidyl)-1,4-dioxaspiro(4.5)decane hydrochloride

Structural Information

Molecular Formula
C13H22ClNO2
SMILES
C1CCNC(C1)C2COC3(O2)CCCC(C3)Cl
InChI
InChI=1S/C13H22ClNO2/c14-10-4-3-6-13(8-10)16-9-12(17-13)11-5-1-2-7-15-11/h10-12,15H,1-9H2
InChIKey
WHMMEBBONOFOGU-UHFFFAOYSA-N
Compound name
2-(7-chloro-1,4-dioxaspiro[4.5]decan-3-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1339 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14118 162.1
[M+Na]+ 282.12312 165.1
[M-H]- 258.12662 167.1
[M+NH4]+ 277.16772 178.2
[M+K]+ 298.09706 162.7
[M+H-H2O]+ 242.13116 155.1
[M+HCOO]- 304.13210 168.3
[M+CH3COO]- 318.14775 171.2
[M+Na-2H]- 280.10857 163.2
[M]+ 259.13335 153.6
[M]- 259.13445 153.6
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.