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]+ 259.12886 156.6
[M+Na]+ 281.11080 163.0
[M-H]- 257.11430 155.7
[M+NH4]+ 276.15540 171.6
[M+K]+ 297.08474 162.3
[M+H-H2O]+ 241.11884 148.6
[M+HCOO]- 303.11978 177.4
[M+CH3COO]- 317.13543 191.4
[M+Na-2H]- 279.09625 159.2
[M]+ 258.12103 163.2
[M]- 258.12213 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.