CID 57686715

Methyl 1-(hydroxymethyl)cyclopentane-1-carboxylate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

COC(=O)C1(CCCC1)CO

InChI

InChI=1S/C8H14O3/c1-11-7(10)8(6-9)4-2-3-5-8/h9H,2-6H2,1H3

InChIKey

PWCITRNZYCAWMV-UHFFFAOYSA-N

Compound name

methyl 1-(hydroxymethyl)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 158.0943 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]+	159.10158	134.9
[M+Na]+	181.08352	141.0
[M-H]-	157.08702	136.8
[M+NH4]+	176.12812	158.6
[M+K]+	197.05746	140.6
[M+H-H2O]+	141.09156	130.8
[M+HCOO]-	203.09250	155.9
[M+CH3COO]-	217.10815	171.4
[M+Na-2H]-	179.06897	138.9
[M]+	158.09375	133.5
[M]-	158.09485	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe