CID 65369258

2-[1-(ethoxymethyl)-3,5-dimethyl-1h-pyrazol-4-yl]acetic acid

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCOCN1C(=C(C(=N1)C)CC(=O)O)C
InChI
InChI=1S/C10H16N2O3/c1-4-15-6-12-8(3)9(5-10(13)14)7(2)11-12/h4-6H2,1-3H3,(H,13,14)
InChIKey
YRFNSXQPZLUJFM-UHFFFAOYSA-N
Compound name
2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 146.7
[M+Na]+ 235.10531 155.8
[M-H]- 211.10881 146.9
[M+NH4]+ 230.14991 164.5
[M+K]+ 251.07925 154.2
[M+H-H2O]+ 195.11335 140.1
[M+HCOO]- 257.11429 167.4
[M+CH3COO]- 271.12994 186.7
[M+Na-2H]- 233.09076 148.3
[M]+ 212.11554 151.0
[M]- 212.11664 151.0
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.