CID 18674580

3077-14-3

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1=CC=C(C=C1)NCC(C)O

InChI

InChI=1S/C10H15NO/c1-8-3-5-10(6-4-8)11-7-9(2)12/h3-6,9,11-12H,7H2,1-2H3

InChIKey

ORNUEAWHALNPHU-UHFFFAOYSA-N

Compound name

1-(4-methylanilino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 120
Patents: 165.11537 Da
Monoisotopic Mass: 2.0
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	136.5
[M+Na]+	188.10459	142.9
[M-H]-	164.10809	138.9
[M+NH4]+	183.14919	156.4
[M+K]+	204.07853	140.8
[M+H-H2O]+	148.11263	130.8
[M+HCOO]-	210.11357	159.5
[M+CH3COO]-	224.12922	180.5
[M+Na-2H]-	186.09004	142.0
[M]+	165.11482	135.3
[M]-	165.11592	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe