CID 44890823

68208-22-0

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

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

InChI

InChI=1S/C10H15NO/c1-8-3-2-4-9(7-8)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3

InChIKey

QBUYRBXUFMJAEP-UHFFFAOYSA-N

Compound name

3-amino-3-(3-methylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.11537 Da
Monoisotopic Mass: 0.9
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	137.1
[M+Na]+	188.10459	143.5
[M-H]-	164.10809	138.9
[M+NH4]+	183.14919	156.7
[M+K]+	204.07853	141.0
[M+H-H2O]+	148.11263	131.5
[M+HCOO]-	210.11357	159.5
[M+CH3COO]-	224.12922	179.9
[M+Na-2H]-	186.09004	141.5
[M]+	165.11482	134.9
[M]-	165.11592	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe