CID 91656673

1443341-07-8

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCN(CC)C1=CC=C(C=C1)CC(C)(C)O

InChI

InChI=1S/C14H23NO/c1-5-15(6-2)13-9-7-12(8-10-13)11-14(3,4)16/h7-10,16H,5-6,11H2,1-4H3

InChIKey

QYDVZCXABBKWGC-UHFFFAOYSA-N

Compound name

1-[4-(diethylamino)phenyl]-2-methylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.17796 Da
Monoisotopic Mass: 3.4
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]+	222.18524	154.1
[M+Na]+	244.16718	159.7
[M-H]-	220.17068	157.5
[M+NH4]+	239.21178	172.6
[M+K]+	260.14112	158.0
[M+H-H2O]+	204.17522	148.1
[M+HCOO]-	266.17616	175.7
[M+CH3COO]-	280.19181	195.7
[M+Na-2H]-	242.15263	158.7
[M]+	221.17741	155.9
[M]-	221.17851	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe