CID 104564152

1917440-01-7

Structural Information

Molecular Formula
C11H18N2O5
SMILES
COCCOCCOCCN1C(=CC=N1)C(=O)O
InChI
InChI=1S/C11H18N2O5/c1-16-6-7-18-9-8-17-5-4-13-10(11(14)15)2-3-12-13/h2-3H,4-9H2,1H3,(H,14,15)
InChIKey
DFBSFJAWZMHUHD-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.12158 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.128856 156.6
[M+Na]+ 281.110798 163.0
[M-H]- 257.114304 155.7
[M+NH4]+ 276.155403 171.6
[M+K]+ 297.084738 162.3
[M+H-H2O]+ 241.118840 148.6
[M+HCOO]- 303.119781 177.4
[M+CH3COO]- 317.135431 191.4
[M+Na-2H]- 279.096246 159.2
[M]+ 258.12103142 163.2
[M]- 258.12212858 163.2
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.