CID 20546457

2361643-88-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CC(C(C1=CC=CC=C1OC)N)N

InChI

InChI=1S/C10H16N2O/c1-7(11)10(12)8-5-3-4-6-9(8)13-2/h3-7,10H,11-12H2,1-2H3

InChIKey

QMRXVLGWTSMWDZ-UHFFFAOYSA-N

Compound name

1-(2-methoxyphenyl)propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 180.12627 Da
Monoisotopic Mass: 0.3
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]+	181.13355	140.9
[M+Na]+	203.11549	150.7
[M+NH4]+	198.16009	148.8
[M+K]+	219.08943	146.0
[M-H]-	179.11899	143.5
[M+Na-2H]-	201.10094	146.4
[M]+	180.12572	142.8
[M]-	180.12682	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe