CID 42628698

1009376-74-2

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCC(CN1)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKey
AJUGGHOVBBTHCD-UHFFFAOYSA-N
Compound name
methyl 6-methylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
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 135.3
[M+Na]+ 180.09950 140.6
[M-H]- 156.10300 135.5
[M+NH4]+ 175.14410 154.2
[M+K]+ 196.07344 139.6
[M+H-H2O]+ 140.10754 129.3
[M+HCOO]- 202.10848 152.7
[M+CH3COO]- 216.12413 173.8
[M+Na-2H]- 178.08495 138.6
[M]+ 157.10973 131.0
[M]- 157.11083 131.0
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