CID 56333

92099-77-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

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

InChI

InChI=1S/C11H17NO2/c1-7-4-5-10(14-3)9(6-7)11(13)8(2)12/h4-6,8,11,13H,12H2,1-3H3

InChIKey

TZOQRNSNVWMTCO-UHFFFAOYSA-N

Compound name

2-amino-1-(2-methoxy-5-methylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 195.12593 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]+	196.13321	144.3
[M+Na]+	218.11515	154.8
[M+NH4]+	213.15975	151.8
[M+K]+	234.08909	150.3
[M-H]-	194.11865	145.8
[M+Na-2H]-	216.10060	149.0
[M]+	195.12538	146.0
[M]-	195.12648	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe