CID 73507

2581-46-6

Structural Information

Molecular Formula

C₁₆H₃₁NO₂

SMILES

CCCCCCCCCCCC1=NC(CO1)(C)CO

InChI

InChI=1S/C16H31NO2/c1-3-4-5-6-7-8-9-10-11-12-15-17-16(2,13-18)14-19-15/h18H,3-14H2,1-2H3

InChIKey

JMQRHKPPXPCTGP-UHFFFAOYSA-N

Compound name

(4-methyl-2-undecyl-5H-1,3-oxazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 192
Patents: 269.23547 Da
Monoisotopic Mass: 4.5
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]+	270.242746	168.9
[M+Na]+	292.224688	173.6
[M-H]-	268.228194	169.0
[M+NH4]+	287.269293	186.0
[M+K]+	308.198628	171.5
[M+H-H2O]+	252.232730	162.5
[M+HCOO]-	314.233671	187.1
[M+CH3COO]-	328.249321	197.4
[M+Na-2H]-	290.210136	171.0
[M]+	269.23492142	173.4
[M]-	269.23601858	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe