CID 83679996

1513130-41-0

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CN1C(=C2COCCC2=N1)N

InChI

InChI=1S/C7H11N3O/c1-10-7(8)5-4-11-3-2-6(5)9-10/h2-4,8H2,1H3

InChIKey

GPRVTGXMHAXWRK-UHFFFAOYSA-N

Compound name

2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.09021 Da
Monoisotopic Mass: -0.4
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	130.7
[M+Na]+	176.079428	139.4
[M-H]-	152.082934	132.8
[M+NH4]+	171.124033	150.4
[M+K]+	192.053368	138.5
[M+H-H2O]+	136.087470	123.9
[M+HCOO]-	198.088411	150.7
[M+CH3COO]-	212.104061	144.1
[M+Na-2H]-	174.064876	137.1
[M]+	153.08966142	128.7
[M]-	153.09075858	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.