CID 165476553

En300-1165786

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CN1C=CC(=N1)C2(CCCO2)C(=O)O
InChI
InChI=1S/C9H12N2O3/c1-11-5-3-7(10-11)9(8(12)13)4-2-6-14-9/h3,5H,2,4,6H2,1H3,(H,12,13)
InChIKey
IKVBCQYKSAHYCF-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-3-yl)oxolane-2-carboxylic 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 139.8
[M+Na]+ 219.07402 147.5
[M-H]- 195.07752 143.5
[M+NH4]+ 214.11862 159.6
[M+K]+ 235.04796 147.4
[M+H-H2O]+ 179.08206 133.7
[M+HCOO]- 241.08300 159.3
[M+CH3COO]- 255.09865 177.6
[M+Na-2H]- 217.05947 143.1
[M]+ 196.08425 139.3
[M]- 196.08535 139.3
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.