CID 37053

35106-08-2

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

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

InChI

InChI=1S/C11H17NO/c1-3-10(12)11(13)9-6-4-8(2)5-7-9/h4-7,10-11,13H,3,12H2,1-2H3

InChIKey

QVOWMIQUMMPYRT-UHFFFAOYSA-N

Compound name

2-amino-1-(4-methylphenyl)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.13101 Da
Monoisotopic Mass: 1.5
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	142.2
[M+Na]+	202.12023	147.9
[M-H]-	178.12373	143.9
[M+NH4]+	197.16483	161.1
[M+K]+	218.09417	145.7
[M+H-H2O]+	162.12827	136.4
[M+HCOO]-	224.12921	163.2
[M+CH3COO]-	238.14486	183.8
[M+Na-2H]-	200.10568	144.7
[M]+	179.13046	139.7
[M]-	179.13156	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe