CID 176041

Hydrazinecarboxaldehyde, 2-[4-(hexyloxy)phenyl]-

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

CCCCCCOC1=CC=C(C=C1)NNC=O

InChI

InChI=1S/C13H20N2O2/c1-2-3-4-5-10-17-13-8-6-12(7-9-13)15-14-11-16/h6-9,11,15H,2-5,10H2,1H3,(H,14,16)

InChIKey

YDDVYOZFHJAVBB-UHFFFAOYSA-N

Compound name

N-(4-hexoxyanilino)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 236.15248 Da
Monoisotopic Mass: 3.7
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]+	237.159756	154.3
[M+Na]+	259.141698	159.3
[M-H]-	235.145204	157.2
[M+NH4]+	254.186303	171.4
[M+K]+	275.115638	156.7
[M+H-H2O]+	219.149740	146.8
[M+HCOO]-	281.150681	180.2
[M+CH3COO]-	295.166331	197.6
[M+Na-2H]-	257.127146	160.2
[M]+	236.15193142	156.6
[M]-	236.15302858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe