CID 22502311

1158573-73-9

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC1COC2=CC=C(C=C2)N

InChI

InChI=1S/C10H13NO/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h3-6,8H,1-2,7,11H2

InChIKey

ZMFSEJXMKUQZMY-UHFFFAOYSA-N

Compound name

4-(cyclopropylmethoxy)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 163.09972 Da
Monoisotopic Mass: 1.6
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]+	164.10700	131.3
[M+Na]+	186.08894	140.3
[M-H]-	162.09244	138.6
[M+NH4]+	181.13354	146.8
[M+K]+	202.06288	137.4
[M+H-H2O]+	146.09698	124.8
[M+HCOO]-	208.09792	156.8
[M+CH3COO]-	222.11357	183.5
[M+Na-2H]-	184.07439	138.3
[M]+	163.09917	132.9
[M]-	163.10027	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe