CID 137949176

2137672-68-3

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CNC1=CC=CC(=C1)C2=CN=C(N=C2)C(=O)O
InChI
InChI=1S/C12H11N3O2/c1-13-10-4-2-3-8(5-10)9-6-14-11(12(16)17)15-7-9/h2-7,13H,1H3,(H,16,17)
InChIKey
JLBXFWUGWYQVEE-UHFFFAOYSA-N
Compound name
5-[3-(methylamino)phenyl]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 149.7
[M+Na]+ 252.07435 157.7
[M-H]- 228.07785 152.9
[M+NH4]+ 247.11895 163.8
[M+K]+ 268.04829 153.8
[M+H-H2O]+ 212.08239 141.0
[M+HCOO]- 274.08333 171.3
[M+CH3COO]- 288.09898 190.2
[M+Na-2H]- 250.05980 156.4
[M]+ 229.08458 148.8
[M]- 229.08568 148.8
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

No patent data available for this compound.