CID 3047641

63867-69-6

Structural Information

Molecular Formula
C10H19NO2
SMILES
COC(=O)CCCN1CCCCC1
InChI
InChI=1S/C10H19NO2/c1-13-10(12)6-5-9-11-7-3-2-4-8-11/h2-9H2,1H3
InChIKey
KJSCSZQWNCEXBT-UHFFFAOYSA-N
Compound name
methyl 4-piperidin-1-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

185.14159 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.148866 144.2
[M+Na]+ 208.130808 148.0
[M-H]- 184.134314 145.0
[M+NH4]+ 203.175413 162.3
[M+K]+ 224.104748 147.4
[M+H-H2O]+ 168.138850 137.2
[M+HCOO]- 230.139791 162.4
[M+CH3COO]- 244.155441 181.4
[M+Na-2H]- 206.116256 147.6
[M]+ 185.14104142 142.1
[M]- 185.14213858 142.1
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