CID 16794777

1103848-03-8

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC(N(C1)C2=NC=CN=C2)C(=O)O
InChI
InChI=1S/C9H11N3O2/c13-9(14)7-2-1-5-12(7)8-6-10-3-4-11-8/h3-4,6-7H,1-2,5H2,(H,13,14)
InChIKey
IQKQAXJPKITSCC-UHFFFAOYSA-N
Compound name
1-pyrazin-2-ylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 141.0
[M+Na]+ 216.07435 148.0
[M-H]- 192.07785 142.2
[M+NH4]+ 211.11895 157.0
[M+K]+ 232.04829 145.6
[M+H-H2O]+ 176.08239 132.4
[M+HCOO]- 238.08333 159.1
[M+CH3COO]- 252.09898 178.5
[M+Na-2H]- 214.05980 144.6
[M]+ 193.08458 137.8
[M]- 193.08568 137.8
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