CID 210809

21677-49-6

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CN1C(=C2CCCCC2=N1)CC(=O)O

InChI

InChI=1S/C10H14N2O2/c1-12-9(6-10(13)14)7-4-2-3-5-8(7)11-12/h2-6H2,1H3,(H,13,14)

InChIKey

XIMALPFIKGOUGQ-UHFFFAOYSA-N

Compound name

2-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	195.11281	143.0
[M+Na]+	217.09475	150.6
[M-H]-	193.09825	143.3
[M+NH4]+	212.13935	162.0
[M+K]+	233.06869	148.1
[M+H-H2O]+	177.10279	136.3
[M+HCOO]-	239.10373	160.4
[M+CH3COO]-	253.11938	181.5
[M+Na-2H]-	215.08020	146.1
[M]+	194.10498	141.4
[M]-	194.10608	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe