CID 10796998

180464-87-3

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

COC(=O)C12CC(C1)(C2)CO

InChI

InChI=1S/C8H12O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h9H,2-5H2,1H3

InChIKey

BYTLJVZXUYVJKN-UHFFFAOYSA-N

Compound name

methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 266
Patents: 156.07864 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]+	157.08592	148.9
[M+Na]+	179.06786	145.4
[M+NH4]+	174.11246	148.2
[M+K]+	195.04180	143.6
[M-H]-	155.07136	140.9
[M+Na-2H]-	177.05331	144.7
[M]+	156.07809	143.5
[M]-	156.07919	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe