CID 177798250

4-ethynyl-4-(methoxymethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C9H15NO
SMILES
COCC1(CCNCC1)C#C
InChI
InChI=1S/C9H15NO/c1-3-9(8-11-2)4-6-10-7-5-9/h1,10H,4-8H2,2H3
InChIKey
MNYSJAHLCFFHEH-UHFFFAOYSA-N
Compound name
4-ethynyl-4-(methoxymethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 132.9
[M+Na]+ 176.104588 140.8
[M-H]- 152.108094 132.1
[M+NH4]+ 171.149193 151.4
[M+K]+ 192.078528 136.8
[M+H-H2O]+ 136.112630 121.5
[M+HCOO]- 198.113571 145.6
[M+CH3COO]- 212.129221 181.4
[M+Na-2H]- 174.090036 138.2
[M]+ 153.11482142 123.5
[M]- 153.11591858 123.5
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.