CID 415939

1-methylpiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN1CCCCC1C(=O)O
InChI
InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKey
BPSLZWSRHTULGU-UHFFFAOYSA-N
Compound name
1-methylpiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1397
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.5
[M+Na]+ 166.08386 136.1
[M-H]- 142.08736 130.8
[M+NH4]+ 161.12846 149.8
[M+K]+ 182.05780 135.3
[M+H-H2O]+ 126.09190 124.7
[M+HCOO]- 188.09284 148.2
[M+CH3COO]- 202.10849 171.5
[M+Na-2H]- 164.06931 134.3
[M]+ 143.09409 125.9
[M]- 143.09519 125.9
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