CID 11514362

870076-72-5

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)OC

InChI

InChI=1S/C14H23NO3/c1-14(2,3)15-8-13(18-4)10-5-6-12(17)11(7-10)9-16/h5-7,13,15-17H,8-9H2,1-4H3

InChIKey

UMHASVFLCHGDPW-UHFFFAOYSA-N

Compound name

4-[2-(tert-butylamino)-1-methoxyethyl]-2-(hydroxymethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 253.1678 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]+	254.175076	161.1
[M+Na]+	276.157018	166.5
[M-H]-	252.160524	162.0
[M+NH4]+	271.201623	177.0
[M+K]+	292.130958	164.3
[M+H-H2O]+	236.165060	155.3
[M+HCOO]-	298.166001	180.1
[M+CH3COO]-	312.181651	195.3
[M+Na-2H]-	274.142466	164.1
[M]+	253.16725142	162.2
[M]-	253.16834858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe