CID 147358189

Rac-(3r,4s)-4-cyclopropyloxolan-3-ol

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CC1[C@@H]2COC[C@H]2O

InChI

InChI=1S/C7H12O2/c8-7-4-9-3-6(7)5-1-2-5/h5-8H,1-4H2/t6-,7+/m0/s1

InChIKey

DGSMXHAIGYAGEK-NKWVEPMBSA-N

Compound name

(3S,4R)-4-cyclopropyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 128.08372 Da
Monoisotopic Mass: 0.6
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]+	129.090996	122.7
[M+Na]+	151.072938	131.4
[M-H]-	127.076444	129.6
[M+NH4]+	146.117543	139.8
[M+K]+	167.046878	130.6
[M+H-H2O]+	111.080980	117.5
[M+HCOO]-	173.081921	143.9
[M+CH3COO]-	187.097571	171.0
[M+Na-2H]-	149.058386	128.4
[M]+	128.08317142	123.1
[M]-	128.08426858	123.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe