CID 167723772

Methyl 2-methyl-4,5,6,7-tetrahydro-2h-indazole-7-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN1C=C2CCCC(C2=N1)C(=O)OC

InChI

InChI=1S/C10H14N2O2/c1-12-6-7-4-3-5-8(9(7)11-12)10(13)14-2/h6,8H,3-5H2,1-2H3

InChIKey

NUWIJNWFAVUTEI-UHFFFAOYSA-N

Compound name

methyl 2-methyl-4,5,6,7-tetrahydroindazole-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 1.0
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]+	195.112806	142.5
[M+Na]+	217.094748	150.7
[M-H]-	193.098254	144.3
[M+NH4]+	212.139353	162.4
[M+K]+	233.068688	149.0
[M+H-H2O]+	177.102790	135.6
[M+HCOO]-	239.103731	161.5
[M+CH3COO]-	253.119381	183.4
[M+Na-2H]-	215.080196	146.1
[M]+	194.10498142	142.7
[M]-	194.10607858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.