CID 129095274

1414976-15-0

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)O)N

InChI

InChI=1S/C11H13N3O2/c1-6-2-7(4-9(12)11(15)16)3-8-5-13-14-10(6)8/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)/t9-/m1/s1

InChIKey

ORSMLSCAEDMRGO-SECBINFHSA-N

Compound name

(2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 219.10077 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]+	220.10805	147.5
[M+Na]+	242.08999	157.9
[M+NH4]+	237.13459	153.7
[M+K]+	258.06393	155.7
[M-H]-	218.09349	147.0
[M+Na-2H]-	240.07544	151.1
[M]+	219.10022	148.4
[M]-	219.10132	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe