CID 44146108

1-tridecyn-3-ol, 3-methyl-

Structural Information

Molecular Formula

C₁₄H₂₆O

SMILES

CCCCCCCCCCC(C)(C#C)O

InChI

InChI=1S/C14H26O/c1-4-6-7-8-9-10-11-12-13-14(3,15)5-2/h2,15H,4,6-13H2,1,3H3

InChIKey

VRIOCRYNFBWGRF-UHFFFAOYSA-N

Compound name

3-methyltridec-1-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 227
Patents: 210.19836 Da
Monoisotopic Mass: 4.9
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]+	211.20564	153.0
[M+Na]+	233.18758	159.8
[M-H]-	209.19108	150.9
[M+NH4]+	228.23218	169.7
[M+K]+	249.16152	156.6
[M+H-H2O]+	193.19562	142.5
[M+HCOO]-	255.19656	166.6
[M+CH3COO]-	269.21221	196.7
[M+Na-2H]-	231.17303	155.8
[M]+	210.19781	150.5
[M]-	210.19891	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe