CID 96393

85264-33-1

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1=CC(=NN1CO)C

InChI

InChI=1S/C6H10N2O/c1-5-3-6(2)8(4-9)7-5/h3,9H,4H2,1-2H3

InChIKey

OBENDWOJIFFDLZ-UHFFFAOYSA-N

Compound name

(3,5-dimethylpyrazol-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 1296
Patents: 126.079315 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]+	127.08659	124.1
[M+Na]+	149.06853	134.2
[M-H]-	125.07204	124.4
[M+NH4]+	144.11314	145.4
[M+K]+	165.04247	132.8
[M+H-H2O]+	109.07658	118.1
[M+HCOO]-	171.07752	146.5
[M+CH3COO]-	185.09317	169.4
[M+Na-2H]-	147.05398	129.6
[M]+	126.07877	125.0
[M]-	126.07986	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe