CID 71755951

1,3-dimethyl-1h,4h,5h,6h-pyrazolo[3,4-b][1,4]oxazine

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CC1=NN(C2=C1NCCO2)C

InChI

InChI=1S/C7H11N3O/c1-5-6-7(10(2)9-5)11-4-3-8-6/h8H,3-4H2,1-2H3

InChIKey

RMRVJLDOZUHEHZ-UHFFFAOYSA-N

Compound name

1,3-dimethyl-5,6-dihydro-4H-pyrazolo[5,4-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.09021 Da
Monoisotopic Mass: 0.7
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]+	154.097486	132.2
[M+Na]+	176.079428	141.5
[M-H]-	152.082934	132.1
[M+NH4]+	171.124033	150.5
[M+K]+	192.053368	140.0
[M+H-H2O]+	136.087470	125.1
[M+HCOO]-	198.088411	149.0
[M+CH3COO]-	212.104061	145.0
[M+Na-2H]-	174.064876	138.4
[M]+	153.08966142	130.6
[M]-	153.09075858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe