CID 57585805

1021871-68-0

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(C)(C1=CC=CC(=C1)CN)O

InChI

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

InChIKey

KJGDRDVSHVXPRA-UHFFFAOYSA-N

Compound name

2-[3-(aminomethyl)phenyl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 165.11537 Da
Monoisotopic Mass: 0.8
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	136.6
[M+Na]+	188.10459	143.8
[M-H]-	164.10809	138.7
[M+NH4]+	183.14919	156.4
[M+K]+	204.07853	141.2
[M+H-H2O]+	148.11263	131.6
[M+HCOO]-	210.11357	158.4
[M+CH3COO]-	224.12922	179.4
[M+Na-2H]-	186.09004	143.0
[M]+	165.11482	134.6
[M]-	165.11592	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe