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

51
Patents

165.05383 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.061106 133.3
[M+Na]+ 188.043048 141.6
[M-H]- 164.046554 132.8
[M+NH4]+ 183.087653 149.9
[M+K]+ 204.016988 138.8
[M+H-H2O]+ 148.051090 126.2
[M+HCOO]- 210.052031 154.7
[M+CH3COO]- 224.067681 176.0
[M+Na-2H]- 186.028496 139.5
[M]+ 165.05328142 130.9
[M]- 165.05437858 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe