CID 68603402

1028843-21-1

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1CC(OC1)C2=CC(=NN2)N

InChI

InChI=1S/C7H11N3O/c8-7-4-5(9-10-7)6-2-1-3-11-6/h4,6H,1-3H2,(H3,8,9,10)

InChIKey

CKIXUKPEHKUCPP-UHFFFAOYSA-N

Compound name

5-(oxolan-2-yl)-1H-pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 153.09021 Da
Monoisotopic Mass: 0.1
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	130.5
[M+Na]+	176.079428	137.4
[M-H]-	152.082934	133.5
[M+NH4]+	171.124033	149.6
[M+K]+	192.053368	136.3
[M+H-H2O]+	136.087470	123.3
[M+HCOO]-	198.088411	151.4
[M+CH3COO]-	212.104061	143.4
[M+Na-2H]-	174.064876	134.1
[M]+	153.08966142	125.7
[M]-	153.09075858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe