CID 1455310

1-(pyrazin-2-yl)piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CN(CCC1C(=O)O)C2=NC=CN=C2
InChI
InChI=1S/C10H13N3O2/c14-10(15)8-1-5-13(6-2-8)9-7-11-3-4-12-9/h3-4,7-8H,1-2,5-6H2,(H,14,15)
InChIKey
TXAFIGZHASGILY-UHFFFAOYSA-N
Compound name
1-pyrazin-2-ylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

207.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.108046 146.2
[M+Na]+ 230.089988 151.9
[M-H]- 206.093494 146.7
[M+NH4]+ 225.134593 159.6
[M+K]+ 246.063928 149.0
[M+H-H2O]+ 190.098030 137.0
[M+HCOO]- 252.098971 161.6
[M+CH3COO]- 266.114621 182.0
[M+Na-2H]- 228.075436 151.0
[M]+ 207.10022142 141.1
[M]- 207.10131858 141.1
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