CID 107213

Dodec-1-en-3-ol

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCCCCCC(C=C)O

InChI

InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h4,12-13H,2-3,5-11H2,1H3

InChIKey

NJRDPOCRDOOHLF-UHFFFAOYSA-N

Compound name

dodec-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 184.18271 Da
Monoisotopic Mass: 4.7
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]+	185.189986	149.2
[M+Na]+	207.171928	153.6
[M-H]-	183.175434	147.0
[M+NH4]+	202.216533	168.5
[M+K]+	223.145868	151.2
[M+H-H2O]+	167.179970	144.0
[M+HCOO]-	229.180911	168.9
[M+CH3COO]-	243.196561	184.6
[M+Na-2H]-	205.157376	151.3
[M]+	184.18216142	150.9
[M]-	184.18325858	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe