CID 5288786

74874-05-8

Structural Information

Molecular Formula
C7H13NO2
SMILES
C[C@@H]1CCN[C@H](C1)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1
InChIKey
UQHCHLWYGMSPJC-PHDIDXHHSA-N
Compound name
(2R,4R)-4-methylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
Patents

143.09464 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.4
[M+Na]+ 166.08386 136.7
[M-H]- 142.08736 130.3
[M+NH4]+ 161.12846 150.0
[M+K]+ 182.05780 134.9
[M+H-H2O]+ 126.09190 125.9
[M+HCOO]- 188.09284 147.6
[M+CH3COO]- 202.10849 168.9
[M+Na-2H]- 164.06931 134.7
[M]+ 143.09409 124.9
[M]- 143.09519 124.9
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