CID 49757987

1219694-53-7

Structural Information

Molecular Formula

C₇H₈N₂O₃

SMILES

C1COCC2=CC(=NN21)C(=O)O

InChI

InChI=1S/C7H8N2O3/c10-7(11)6-3-5-4-12-2-1-9(5)8-6/h3H,1-2,4H2,(H,10,11)

InChIKey

UDHQXLDAEVRNIZ-UHFFFAOYSA-N

Compound name

6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 168.0535 Da
Monoisotopic Mass: -0.5
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	132.8
[M+Na]+	191.04272	143.3
[M+NH4]+	186.08732	140.0
[M+K]+	207.01666	141.5
[M-H]-	167.04622	133.3
[M+Na-2H]-	189.02817	135.7
[M]+	168.05295	134.1
[M]-	168.05405	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe