CID 132364527

2-(pyrrolidin-2-yl)pyrimidine-5-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1CC(NC1)C2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C9H11N3O2/c13-9(14)6-4-11-8(12-5-6)7-2-1-3-10-7/h4-5,7,10H,1-3H2,(H,13,14)
InChIKey
IGCWYTMDOKTHEI-UHFFFAOYSA-N
Compound name
2-pyrrolidin-2-ylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 141.7
[M+Na]+ 216.07435 148.2
[M-H]- 192.07785 141.5
[M+NH4]+ 211.11895 156.9
[M+K]+ 232.04829 145.0
[M+H-H2O]+ 176.08239 133.3
[M+HCOO]- 238.08333 158.2
[M+CH3COO]- 252.09898 176.0
[M+Na-2H]- 214.05980 144.8
[M]+ 193.08458 136.6
[M]- 193.08568 136.6
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.