CID 138528

3,4,5-trimethyl-1h-pyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC1=C(NN=C1C)C

InChI

InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)

InChIKey

HUVAAOZUPLEYBH-UHFFFAOYSA-N

Compound name

3,4,5-trimethyl-1H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 947
Patents: 110.0844 Da
Monoisotopic Mass: 1.4
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]+	111.09168	121.6
[M+Na]+	133.07362	133.9
[M+NH4]+	128.11822	130.0
[M+K]+	149.04756	129.9
[M-H]-	109.07712	122.0
[M+Na-2H]-	131.05907	127.2
[M]+	110.08385	123.3
[M]-	110.08495	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe