CID 1713248

2-(2-ethoxy-2-oxoethoxy)imino-2-(1h-pyrazol-5-yl)acetic acid

Structural Information

Molecular Formula
C9H11N3O5
SMILES
CCOC(=O)CON=C(C1=CC=NN1)C(=O)O
InChI
InChI=1S/C9H11N3O5/c1-2-16-7(13)5-17-12-8(9(14)15)6-3-4-10-11-6/h3-4H,2,5H2,1H3,(H,10,11)(H,14,15)
InChIKey
HWVWHAMUHWPKPD-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-2-oxoethoxy)imino-2-(1H-pyrazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

241.06987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07715 150.3
[M+Na]+ 264.05909 155.8
[M-H]- 240.06259 149.8
[M+NH4]+ 259.10369 165.1
[M+K]+ 280.03303 155.5
[M+H-H2O]+ 224.06713 142.3
[M+HCOO]- 286.06807 171.2
[M+CH3COO]- 300.08372 188.2
[M+Na-2H]- 262.04454 152.7
[M]+ 241.06932 152.1
[M]- 241.07042 152.1
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

patents stripe