CID 9834713

1-propanol, 2-(dodecyloxy)-

Structural Information

Molecular Formula

C₁₅H₃₂O₂

SMILES

CCCCCCCCCCCCOC(C)CO

InChI

InChI=1S/C15H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h15-16H,3-14H2,1-2H3

InChIKey

UKCFWUCWNZTUPT-UHFFFAOYSA-N

Compound name

2-dodecoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 20
Patents: 244.24023 Da
Monoisotopic Mass: 5.4
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]+	245.24751	167.5
[M+Na]+	267.22945	170.3
[M-H]-	243.23295	164.7
[M+NH4]+	262.27405	184.5
[M+K]+	283.20339	168.2
[M+H-H2O]+	227.23749	161.5
[M+HCOO]-	289.23843	186.3
[M+CH3COO]-	303.25408	196.4
[M+Na-2H]-	265.21490	167.9
[M]+	244.23968	172.6
[M]-	244.24078	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe