CID 4341744

3-methoxypiperidine

Structural Information

Molecular Formula
C6H13NO
SMILES
COC1CCCNC1
InChI
InChI=1S/C6H13NO/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
InChIKey
MRWRHHSVHWCISU-UHFFFAOYSA-N
Compound name
3-methoxypiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1327
Patents

115.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.5
[M+Na]+ 138.088938 129.6
[M-H]- 114.092444 124.6
[M+NH4]+ 133.133543 144.9
[M+K]+ 154.062878 128.8
[M+H-H2O]+ 98.096980 118.7
[M+HCOO]- 160.097921 143.1
[M+CH3COO]- 174.113571 165.3
[M+Na-2H]- 136.074386 130.8
[M]+ 115.09917142 119.1
[M]- 115.10026858 119.1
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

patents stripe