CID 6537503

1,1'-oxydi(propan-1-ol)

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CCC(O)OC(CC)O

InChI

InChI=1S/C6H14O3/c1-3-5(7)9-6(8)4-2/h5-8H,3-4H2,1-2H3

InChIKey

QYSXYAURTRCDJU-UHFFFAOYSA-N

Compound name

1-(1-hydroxypropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4704
Patents: 134.0943 Da
Monoisotopic Mass: 0.8
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]+	135.101576	130.1
[M+Na]+	157.083518	135.9
[M-H]-	133.087024	127.6
[M+NH4]+	152.128123	150.6
[M+K]+	173.057458	136.2
[M+H-H2O]+	117.091560	125.8
[M+HCOO]-	179.092501	149.6
[M+CH3COO]-	193.108151	169.5
[M+Na-2H]-	155.068966	133.5
[M]+	134.09375142	130.5
[M]-	134.09484858	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe