CID 5364625

68900-87-8

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCCCC/C=C/CCO

InChI

InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9-10,13H,2-8,11-12H2,1H3/b10-9+

InChIKey

BDGQTWOHKASHQU-MDZDMXLPSA-N

Compound name

(E)-dodec-3-en-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 184.18271 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]+	185.189986	148.7
[M+Na]+	207.171928	153.4
[M-H]-	183.175434	146.5
[M+NH4]+	202.216533	168.2
[M+K]+	223.145868	150.6
[M+H-H2O]+	167.179970	143.5
[M+HCOO]-	229.180911	169.5
[M+CH3COO]-	243.196561	183.2
[M+Na-2H]-	205.157376	152.1
[M]+	184.18216142	151.0
[M]-	184.18325858	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe