CID 22477670

1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1COCC2=C1NN=C2C(=O)O

InChI

InChI=1S/C7H8N2O3/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)

InChIKey

YICMXCDJSOOXSM-UHFFFAOYSA-N

Compound name

1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 73
Patents: 168.0535 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.06078	133.3
[M+Na]+	191.04272	143.2
[M+NH4]+	186.08732	140.1
[M+K]+	207.01666	141.7
[M-H]-	167.04622	133.2
[M+Na-2H]-	189.02817	135.6
[M]+	168.05295	134.2
[M]-	168.05405	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe