CID 24229596

1-(6-methylpyrazin-2-yl)piperidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CC1=CN=CC(=N1)N2CCCC(C2)C(=O)O
InChI
InChI=1S/C11H15N3O2/c1-8-5-12-6-10(13-8)14-4-2-3-9(7-14)11(15)16/h5-6,9H,2-4,7H2,1H3,(H,15,16)
InChIKey
TTWSTFTZNIMXTA-UHFFFAOYSA-N
Compound name
1-(6-methylpyrazin-2-yl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.9
[M+Na]+ 244.10564 157.1
[M-H]- 220.10914 151.6
[M+NH4]+ 239.15024 164.0
[M+K]+ 260.07958 154.0
[M+H-H2O]+ 204.11368 141.8
[M+HCOO]- 266.11462 166.0
[M+CH3COO]- 280.13027 186.1
[M+Na-2H]- 242.09109 154.4
[M]+ 221.11587 146.6
[M]- 221.11697 146.6
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

No patent data available for this compound.