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

37
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 152.0
[M+Na]+ 264.05909 158.2
[M+NH4]+ 259.10369 155.1
[M+K]+ 280.03303 158.6
[M-H]- 240.06259 148.3
[M+Na-2H]- 262.04454 153.2
[M]+ 241.06932 150.9
[M]- 241.07042 150.9
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