CID 117007

71077-37-7

Structural Information

Molecular Formula

C₉H₁₄N₂O₂

SMILES

COCCOC1=C(C=C(C=C1)N)N

InChI

InChI=1S/C9H14N2O2/c1-12-4-5-13-9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,10-11H2,1H3

InChIKey

ZNBTUAAPXSCFBS-UHFFFAOYSA-N

Compound name

4-(2-methoxyethoxy)benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 220
Patents: 182.10553 Da
Monoisotopic Mass: 0.4
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]+	183.11281	138.3
[M+Na]+	205.09475	145.7
[M-H]-	181.09825	141.3
[M+NH4]+	200.13935	157.5
[M+K]+	221.06869	144.1
[M+H-H2O]+	165.10279	131.9
[M+HCOO]-	227.10373	164.1
[M+CH3COO]-	241.11938	186.3
[M+Na-2H]-	203.08020	143.5
[M]+	182.10498	138.3
[M]-	182.10608	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe