CID 136576254

2225136-79-6

Structural Information

Molecular Formula
C9H12N2O3
SMILES
C1COCC1C2=CN(N=C2)CC(=O)O
InChI
InChI=1S/C9H12N2O3/c12-9(13)5-11-4-8(3-10-11)7-1-2-14-6-7/h3-4,7H,1-2,5-6H2,(H,12,13)
InChIKey
HNADSHHZXFLIDA-UHFFFAOYSA-N
Compound name
2-[4-(oxolan-3-yl)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.2
[M+Na]+ 219.07402 147.9
[M-H]- 195.07752 144.5
[M+NH4]+ 214.11862 158.9
[M+K]+ 235.04796 147.6
[M+H-H2O]+ 179.08206 134.1
[M+HCOO]- 241.08300 160.6
[M+CH3COO]- 255.09865 178.1
[M+Na-2H]- 217.05947 143.1
[M]+ 196.08425 140.3
[M]- 196.08535 140.3
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.