CID 15511834

Methyl 4-methylpiperidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCNC(C1)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-6-3-4-9-7(5-6)8(10)11-2/h6-7,9H,3-5H2,1-2H3
InChIKey
UVTHKRCWRWDFDF-UHFFFAOYSA-N
Compound name
methyl 4-methylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

157.11028 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe