CID 15535

Methyl 1-methylpiperidine-3-carboxylate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CN1CCCC(C1)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h7H,3-6H2,1-2H3
InChIKey
LLEOWWWENNCINW-UHFFFAOYSA-N
Compound name
methyl 1-methylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2546
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.8
[M+Na]+ 180.09950 145.2
[M+NH4]+ 175.14410 142.7
[M+K]+ 196.07344 140.1
[M-H]- 156.10300 135.5
[M+Na-2H]- 178.08495 139.1
[M]+ 157.10973 136.2
[M]- 157.11083 136.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe