CID 110370

2-tridecen-1-ol

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

CCCCCCCCCCC=CCO

InChI

InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12,14H,2-10,13H2,1H3

InChIKey

VPYJHNADOJDSGU-UHFFFAOYSA-N

Compound name

tridec-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 397
Patents: 198.19836 Da
Monoisotopic Mass: 5.2
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]+	199.20564	153.2
[M+Na]+	221.18758	157.5
[M-H]-	197.19108	150.9
[M+NH4]+	216.23218	172.1
[M+K]+	237.16152	154.4
[M+H-H2O]+	181.19562	147.9
[M+HCOO]-	243.19656	173.7
[M+CH3COO]-	257.21221	186.2
[M+Na-2H]-	219.17303	156.1
[M]+	198.19781	155.9
[M]-	198.19891	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe