CID 10487130

4,4-dimethylpiperidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CCNC(C1)C(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-8(2)3-4-9-6(5-8)7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKey
VBHONAOOBDQJTP-UHFFFAOYSA-N
Compound name
4,4-dimethylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

157.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 135.4
[M+Na]+ 180.099498 141.1
[M-H]- 156.103004 134.5
[M+NH4]+ 175.144103 155.5
[M+K]+ 196.073438 139.5
[M+H-H2O]+ 140.107540 130.6
[M+HCOO]- 202.108481 151.2
[M+CH3COO]- 216.124131 171.5
[M+Na-2H]- 178.084946 139.4
[M]+ 157.10973142 129.6
[M]- 157.11082858 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

literature stripe

Patent stripe

patents stripe