CID 10511129

3,3-dimethylpiperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CCCNC1C(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-8(2)4-3-5-9-6(8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKey
BNWYNDSKZRWDFN-UHFFFAOYSA-N
Compound name
3,3-dimethylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

157.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.4
[M+Na]+ 180.09950 141.1
[M-H]- 156.10300 134.5
[M+NH4]+ 175.14410 155.5
[M+K]+ 196.07344 139.5
[M+H-H2O]+ 140.10754 130.6
[M+HCOO]- 202.10848 151.2
[M+CH3COO]- 216.12413 171.5
[M+Na-2H]- 178.08495 139.4
[M]+ 157.10973 129.6
[M]- 157.11083 129.6
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

patents stripe