CID 80174

6073-20-7

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

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

InChI

InChI=1S/C14H23NO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9,15H2,1-5H3

InChIKey

BESJCRMQEYZHPM-UHFFFAOYSA-N

Compound name

2-amino-4-(2,4,4-trimethylpentan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 221.17796 Da
Monoisotopic Mass: 4.2
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]+	222.185236	154.1
[M+Na]+	244.167178	160.9
[M-H]-	220.170684	156.2
[M+NH4]+	239.211783	172.2
[M+K]+	260.141118	158.1
[M+H-H2O]+	204.175220	149.2
[M+HCOO]-	266.176161	173.0
[M+CH3COO]-	280.191811	192.6
[M+Na-2H]-	242.152626	158.6
[M]+	221.17741142	153.4
[M]-	221.17850858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe