CID 67185555

4-(cyclopropylmethoxy)-2-iodoaniline

Structural Information

Molecular Formula

C₁₀H₁₂INO

SMILES

C1CC1COC2=CC(=C(C=C2)N)I

InChI

InChI=1S/C10H12INO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2

InChIKey

MPJMGKDQACORFB-UHFFFAOYSA-N

Compound name

4-(cyclopropylmethoxy)-2-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 288.99637 Da
Monoisotopic Mass: 2.6
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]+	290.00365	148.9
[M+Na]+	311.98559	155.2
[M+NH4]+	307.03019	154.2
[M+K]+	327.95953	153.0
[M-H]-	287.98909	153.3
[M+Na-2H]-	309.97104	146.7
[M]+	288.99582	151.1
[M]-	288.99692	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe