CID 102354

Dtxsid50952166

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

CC(C)(CNNCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H18N2O2/c1-12(2,11(15)16)9-14-13-8-10-6-4-3-5-7-10/h3-7,13-14H,8-9H2,1-2H3,(H,15,16)

InChIKey

YXSZOJPKSRWSCG-UHFFFAOYSA-N

Compound name

3-(2-benzylhydrazinyl)-2,2-dimethylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 222.13683 Da
Monoisotopic Mass: -0.8
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]+	223.144106	151.1
[M+Na]+	245.126048	155.4
[M-H]-	221.129554	152.9
[M+NH4]+	240.170653	167.9
[M+K]+	261.099988	153.2
[M+H-H2O]+	205.134090	144.7
[M+HCOO]-	267.135031	173.3
[M+CH3COO]-	281.150681	192.1
[M+Na-2H]-	243.111496	157.3
[M]+	222.13628142	149.7
[M]-	222.13737858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe