CID 62386068

1249323-93-0

Structural Information

Molecular Formula
C10H14N2O3
SMILES
C1COCCC1CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H14N2O3/c13-10(14)9-5-11-12(7-9)6-8-1-3-15-4-2-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKey
QRZATPQSQLYCFJ-UHFFFAOYSA-N
Compound name
1-(oxan-4-ylmethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 145.7
[M+Na]+ 233.08967 151.2
[M-H]- 209.09317 148.3
[M+NH4]+ 228.13427 160.9
[M+K]+ 249.06361 150.4
[M+H-H2O]+ 193.09771 137.8
[M+HCOO]- 255.09865 162.6
[M+CH3COO]- 269.11430 181.1
[M+Na-2H]- 231.07512 148.6
[M]+ 210.09990 142.9
[M]- 210.10100 142.9
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

patents stripe