CID 17605629

5-methyl-2-(propan-2-yloxy)aniline

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=CC(=C(C=C1)OC(C)C)N

InChI

InChI=1S/C10H15NO/c1-7(2)12-10-5-4-8(3)6-9(10)11/h4-7H,11H2,1-3H3

InChIKey

IRBXMIJEKMOSDP-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-yloxyaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 165.11537 Da
Monoisotopic Mass: 2.5
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]+	166.12265	136.0
[M+Na]+	188.10459	143.8
[M-H]-	164.10809	139.7
[M+NH4]+	183.14919	156.7
[M+K]+	204.07853	142.3
[M+H-H2O]+	148.11263	130.4
[M+HCOO]-	210.11357	159.9
[M+CH3COO]-	224.12922	183.6
[M+Na-2H]-	186.09004	140.3
[M]+	165.11482	136.1
[M]-	165.11592	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe