CID 82601243

1533231-78-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CN1C2=C(COCC2)C(=N1)C(=O)O

InChI

InChI=1S/C8H10N2O3/c1-10-6-2-3-13-4-5(6)7(9-10)8(11)12/h2-4H2,1H3,(H,11,12)

InChIKey

YYVSBSPRSDGNTI-UHFFFAOYSA-N

Compound name

1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.06914 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]+	183.07642	137.1
[M+Na]+	205.05836	147.8
[M+NH4]+	200.10296	144.1
[M+K]+	221.03230	145.9
[M-H]-	181.06186	137.6
[M+Na-2H]-	203.04381	139.5
[M]+	182.06859	138.4
[M]-	182.06969	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe