CID 545928

1-tridecanol, 2-ethyl-2-methyl-

Structural Information

Molecular Formula

C₁₆H₃₄O

SMILES

CCCCCCCCCCCC(C)(CC)CO

InChI

InChI=1S/C16H34O/c1-4-6-7-8-9-10-11-12-13-14-16(3,5-2)15-17/h17H,4-15H2,1-3H3

InChIKey

RHGHBLSDPQFOTE-UHFFFAOYSA-N

Compound name

2-ethyl-2-methyltridecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.26097 Da
Monoisotopic Mass: 6.9
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]+	243.268246	168.4
[M+Na]+	265.250188	171.6
[M-H]-	241.253694	165.8
[M+NH4]+	260.294793	185.8
[M+K]+	281.224128	168.7
[M+H-H2O]+	225.258230	163.1
[M+HCOO]-	287.259171	186.2
[M+CH3COO]-	301.274821	197.1
[M+Na-2H]-	263.235636	170.3
[M]+	242.26042142	172.6
[M]-	242.26151858	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe