CID 330042

91339-74-1

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H3

InChIKey

APOFDNKYFPDSLE-UHFFFAOYSA-N

Compound name

2-amino-4-(2-methylbutan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 592
Patents: 179.13101 Da
Monoisotopic Mass: 3.0
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]+	180.13829	140.9
[M+Na]+	202.12023	148.5
[M-H]-	178.12373	143.2
[M+NH4]+	197.16483	160.5
[M+K]+	218.09417	145.8
[M+H-H2O]+	162.12827	135.9
[M+HCOO]-	224.12921	162.3
[M+CH3COO]-	238.14486	183.6
[M+Na-2H]-	200.10568	146.0
[M]+	179.13046	139.6
[M]-	179.13156	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe