CID 132372177

Rac-(3r,4r)-4-(propan-2-yloxy)oxolan-3-ol

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CC(C)O[C@@H]1COC[C@H]1O

InChI

InChI=1S/C7H14O3/c1-5(2)10-7-4-9-3-6(7)8/h5-8H,3-4H2,1-2H3/t6-,7-/m1/s1

InChIKey

NBZCSKDKNMNDRM-RNFRBKRXSA-N

Compound name

(3R,4R)-4-propan-2-yloxyoxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 146.0943 Da
Monoisotopic Mass: 0.0
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]+	147.101576	130.9
[M+Na]+	169.083518	137.1
[M-H]-	145.087024	133.5
[M+NH4]+	164.128123	152.0
[M+K]+	185.057458	138.2
[M+H-H2O]+	129.091560	126.3
[M+HCOO]-	191.092501	151.0
[M+CH3COO]-	205.108151	171.5
[M+Na-2H]-	167.068966	134.5
[M]+	146.09375142	130.6
[M]-	146.09484858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe