CID 10725903

144985-81-9

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CCOC(=O)[C@@]1(C[C@H]1CO)CO

InChI

InChI=1S/C8H14O4/c1-2-12-7(11)8(5-10)3-6(8)4-9/h6,9-10H,2-5H2,1H3/t6-,8-/m0/s1

InChIKey

QWJMMXIAENUVEY-XPUUQOCRSA-N

Compound name

cis-ethyl (1R,2R)-1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 174.0892 Da
Monoisotopic Mass: -0.7
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]+	175.096476	136.8
[M+Na]+	197.078418	145.9
[M-H]-	173.081924	139.2
[M+NH4]+	192.123023	153.1
[M+K]+	213.052358	144.2
[M+H-H2O]+	157.086460	132.9
[M+HCOO]-	219.087401	157.0
[M+CH3COO]-	233.103051	178.0
[M+Na-2H]-	195.063866	141.8
[M]+	174.08865142	141.6
[M]-	174.08974858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe