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]+ 208.108046 145.0
[M+Na]+ 230.089988 151.6
[M-H]- 206.093494 147.3
[M+NH4]+ 225.134593 161.5
[M+K]+ 246.063928 148.7
[M+H-H2O]+ 190.098030 137.0
[M+HCOO]- 252.098971 164.5
[M+CH3COO]- 266.114621 184.1
[M+Na-2H]- 228.075436 147.0
[M]+ 207.10022142 140.3
[M]- 207.10131858 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.