CID 91299

25149-50-2

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CC(C)(C)N=NC(C)(CCC(=O)O)C#N

InChI

InChI=1S/C10H17N3O2/c1-9(2,3)12-13-10(4,7-11)6-5-8(14)15/h5-6H2,1-4H3,(H,14,15)

InChIKey

LPIJERWHZYVVLP-UHFFFAOYSA-N

Compound name

4-(tert-butyldiazenyl)-4-cyanopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 191
Patents: 211.13208 Da
Monoisotopic Mass: 1.2
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]+	212.13936	151.5
[M+Na]+	234.12130	158.0
[M+NH4]+	229.16590	153.6
[M+K]+	250.09524	151.8
[M-H]-	210.12480	142.8
[M+Na-2H]-	232.10675	151.3
[M]+	211.13153	148.8
[M]-	211.13263	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe