CID 91188555

1,3-dimethylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCCN(C1C(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-6-4-3-5-9(2)7(6)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
VTTHLLTXRBAJTF-UHFFFAOYSA-N
Compound name
1,3-dimethylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.4
[M+Na]+ 180.09950 140.6
[M-H]- 156.10300 135.0
[M+NH4]+ 175.14410 153.5
[M+K]+ 196.07344 139.6
[M+H-H2O]+ 140.10754 128.8
[M+HCOO]- 202.10848 151.8
[M+CH3COO]- 216.12413 175.7
[M+Na-2H]- 178.08495 137.1
[M]+ 157.10973 130.6
[M]- 157.11083 130.6
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

No patent data available for this compound.