CID 130550916

2-[(2-fluoroethyl)amino]pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C7H8FN3O2
SMILES
C1=C(C=NC(=N1)NCCF)C(=O)O
InChI
InChI=1S/C7H8FN3O2/c8-1-2-9-7-10-3-5(4-11-7)6(12)13/h3-4H,1-2H2,(H,12,13)(H,9,10,11)
InChIKey
HBYIZKLNQACINN-UHFFFAOYSA-N
Compound name
2-(2-fluoroethylamino)pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06006 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06734 135.8
[M+Na]+ 208.04928 143.7
[M-H]- 184.05278 134.3
[M+NH4]+ 203.09388 151.8
[M+K]+ 224.02322 141.4
[M+H-H2O]+ 168.05732 127.5
[M+HCOO]- 230.05826 156.5
[M+CH3COO]- 244.07391 180.8
[M+Na-2H]- 206.03473 142.5
[M]+ 185.05951 134.1
[M]- 185.06061 134.1
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.