CID 45101655

10e-tridecen-2s-ol

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

CC/C=C/CCCCCCC[C@H](C)O

InChI

InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h4-5,13-14H,3,6-12H2,1-2H3/b5-4+/t13-/m0/s1

InChIKey

UQVARQDMXOJMSY-IHVVCDCBSA-N

Compound name

(E,2S)-tridec-10-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 198.19836 Da
Monoisotopic Mass: 4.6
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	154.0
[M+Na]+	221.18758	158.0
[M-H]-	197.19108	151.7
[M+NH4]+	216.23218	172.9
[M+K]+	237.16152	155.4
[M+H-H2O]+	181.19562	148.7
[M+HCOO]-	243.19656	173.4
[M+CH3COO]-	257.21221	186.9
[M+Na-2H]-	219.17303	155.5
[M]+	198.19781	156.0
[M]-	198.19891	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe