CID 3058472

Hydrazine, (p-butoxybenzyl)-, oxalate

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

CCCCOC1=CC=C(C=C1)CNN

InChI

InChI=1S/C11H18N2O/c1-2-3-8-14-11-6-4-10(5-7-11)9-13-12/h4-7,13H,2-3,8-9,12H2,1H3

InChIKey

IAFCITUSAGIDIH-UHFFFAOYSA-N

Compound name

(4-butoxyphenyl)methylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 194.1419 Da
Monoisotopic Mass: 1.8
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]+	195.14918	144.0
[M+Na]+	217.13112	149.7
[M-H]-	193.13462	146.8
[M+NH4]+	212.17572	162.7
[M+K]+	233.10506	147.3
[M+H-H2O]+	177.13916	137.2
[M+HCOO]-	239.14010	169.5
[M+CH3COO]-	253.15575	189.7
[M+Na-2H]-	215.11657	149.9
[M]+	194.14135	143.9
[M]-	194.14245	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe