CID 3157464

67809-62-5

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC1=C(C(=NN1)C)C(C(=O)O)N

InChI

InChI=1S/C7H11N3O2/c1-3-5(4(2)10-9-3)6(8)7(11)12/h6H,8H2,1-2H3,(H,9,10)(H,11,12)

InChIKey

LLUFIONGXCUZRI-UHFFFAOYSA-N

Compound name

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 169.08513 Da
Monoisotopic Mass: -2.6
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]+	170.09241	136.6
[M+Na]+	192.07435	144.5
[M-H]-	168.07785	135.1
[M+NH4]+	187.11895	154.4
[M+K]+	208.04829	142.3
[M+H-H2O]+	152.08239	130.1
[M+HCOO]-	214.08333	155.9
[M+CH3COO]-	228.09898	177.3
[M+Na-2H]-	190.05980	137.9
[M]+	169.08458	133.5
[M]-	169.08568	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe