CID 20109516

893751-15-0

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₂

SMILES

C1CC(OC1)COC2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C11H14ClNO2/c12-8-3-4-11(10(13)6-8)15-7-9-2-1-5-14-9/h3-4,6,9H,1-2,5,7,13H2

InChIKey

MTGVVZQHFZESMO-UHFFFAOYSA-N

Compound name

5-chloro-2-(oxolan-2-ylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.0713 Da
Monoisotopic Mass: 2.2
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]+	228.078576	149.8
[M+Na]+	250.060518	157.4
[M-H]-	226.064024	156.5
[M+NH4]+	245.105123	168.8
[M+K]+	266.034458	154.3
[M+H-H2O]+	210.068560	144.1
[M+HCOO]-	272.069501	168.3
[M+CH3COO]-	286.085151	187.9
[M+Na-2H]-	248.045966	153.2
[M]+	227.07075142	150.3
[M]-	227.07184858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.