CID 66698696

180519-10-2

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CN1C(=CC(=N1)CO)OC

InChI

InChI=1S/C6H10N2O2/c1-8-6(10-2)3-5(4-9)7-8/h3,9H,4H2,1-2H3

InChIKey

RRXPXFAJZSDSBX-UHFFFAOYSA-N

Compound name

(5-methoxy-1-methylpyrazol-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 142.07423 Da
Monoisotopic Mass: -0.3
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]+	143.081506	127.0
[M+Na]+	165.063448	137.0
[M-H]-	141.066954	127.3
[M+NH4]+	160.108053	147.6
[M+K]+	181.037388	136.0
[M+H-H2O]+	125.071490	120.8
[M+HCOO]-	187.072431	149.6
[M+CH3COO]-	201.088081	171.4
[M+Na-2H]-	163.048896	132.5
[M]+	142.07368142	129.3
[M]-	142.07477858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe