CID 89515

Brn 2722001

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

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

InChI

InChI=1S/C13H21NO/c1-11(15)10-14-13(2,3)9-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3

InChIKey

QHESLVVDHLELBB-UHFFFAOYSA-N

Compound name

1-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.16231 Da
Monoisotopic Mass: 2.1
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]+	208.16959	150.5
[M+Na]+	230.15153	155.0
[M-H]-	206.15503	152.2
[M+NH4]+	225.19613	168.4
[M+K]+	246.12547	152.6
[M+H-H2O]+	190.15957	144.6
[M+HCOO]-	252.16051	170.9
[M+CH3COO]-	266.17616	188.8
[M+Na-2H]-	228.13698	155.7
[M]+	207.16176	149.5
[M]-	207.16286	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe