CID 11008273

335030-80-3

Structural Information

Molecular Formula

C₇H₇N₃O₂

SMILES

C1=C(C=NC(=N1)N)/C=C/C(=O)O

InChI

InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+

InChIKey

ZSTSKJFUYGWSPO-OWOJBTEDSA-N

Compound name

(E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 165.05383 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.06111	133.4
[M+Na]+	188.04305	144.3
[M+NH4]+	183.08765	139.3
[M+K]+	204.01699	140.0
[M-H]-	164.04655	132.9
[M+Na-2H]-	186.02850	138.5
[M]+	165.05328	134.3
[M]-	165.05438	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe