CID 4457948

1,6-dimethylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1CCCC(N1C)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-6-4-3-5-7(8(10)11)9(6)2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
QINRALZWLHRKNO-UHFFFAOYSA-N
Compound name
1,6-dimethylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

157.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.4
[M+Na]+ 180.099498 140.6
[M-H]- 156.103004 135.0
[M+NH4]+ 175.144103 153.5
[M+K]+ 196.073438 139.6
[M+H-H2O]+ 140.107540 128.8
[M+HCOO]- 202.108481 151.8
[M+CH3COO]- 216.124131 175.7
[M+Na-2H]- 178.084946 137.1
[M]+ 157.10973142 130.6
[M]- 157.11082858 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

literature stripe

Patent stripe

patents stripe