CID 75445456

4-amino-2-cyclopentylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C10H13N3O2
SMILES
C1CCC(C1)C2=NC=C(C(=N2)N)C(=O)O
InChI
InChI=1S/C10H13N3O2/c11-8-7(10(14)15)5-12-9(13-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15)(H2,11,12,13)
InChIKey
XVHAGZGVAMSNJA-UHFFFAOYSA-N
Compound name
4-amino-2-cyclopentylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 145.0
[M+Na]+ 230.08999 151.6
[M-H]- 206.09349 147.3
[M+NH4]+ 225.13459 161.5
[M+K]+ 246.06393 148.7
[M+H-H2O]+ 190.09803 137.0
[M+HCOO]- 252.09897 164.5
[M+CH3COO]- 266.11462 184.1
[M+Na-2H]- 228.07544 147.0
[M]+ 207.10022 140.3
[M]- 207.10132 140.3
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.