CID 16786441

1-(pyrazin-2-yl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CC(CN(C1)C2=NC=CN=C2)C(=O)O
InChI
InChI=1S/C10H13N3O2/c14-10(15)8-2-1-5-13(7-8)9-6-11-3-4-12-9/h3-4,6,8H,1-2,5,7H2,(H,14,15)
InChIKey
DQZQBNKOVJNCRU-UHFFFAOYSA-N
Compound name
1-pyrazin-2-ylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 146.2
[M+Na]+ 230.08999 151.9
[M-H]- 206.09349 146.7
[M+NH4]+ 225.13459 159.6
[M+K]+ 246.06393 149.0
[M+H-H2O]+ 190.09803 137.0
[M+HCOO]- 252.09897 161.6
[M+CH3COO]- 266.11462 182.0
[M+Na-2H]- 228.07544 151.0
[M]+ 207.10022 141.1
[M]- 207.10132 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

No literature data available for this compound.

Patent stripe

patents stripe