CID 165487858

En300-1165798

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1=C(N(N=C1)C)C2(CCCO2)C(=O)O
InChI
InChI=1S/C10H14N2O3/c1-7-6-11-12(2)8(7)10(9(13)14)4-3-5-15-10/h6H,3-5H2,1-2H3,(H,13,14)
InChIKey
SFPWQWKIHLXURK-UHFFFAOYSA-N
Compound name
2-(2,4-dimethylpyrazol-3-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 143.7
[M+Na]+ 233.08967 152.0
[M-H]- 209.09317 147.7
[M+NH4]+ 228.13427 163.3
[M+K]+ 249.06361 151.6
[M+H-H2O]+ 193.09771 137.9
[M+HCOO]- 255.09865 162.9
[M+CH3COO]- 269.11430 181.8
[M+Na-2H]- 231.07512 145.9
[M]+ 210.09990 144.0
[M]- 210.10100 144.0
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.