CID 108395

59829-77-5

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

CC1(C(C1C(=O)OC)C(OC)OC)C

InChI

InChI=1S/C10H18O4/c1-10(2)6(8(11)12-3)7(10)9(13-4)14-5/h6-7,9H,1-5H3

InChIKey

AOLAMWZAGOXVJB-UHFFFAOYSA-N

Compound name

methyl 3-(dimethoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 202.12051 Da
Monoisotopic Mass: 1.2
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]+	203.127786	144.3
[M+Na]+	225.109728	154.1
[M-H]-	201.113234	149.5
[M+NH4]+	220.154333	161.2
[M+K]+	241.083668	154.1
[M+H-H2O]+	185.117770	140.1
[M+HCOO]-	247.118711	165.8
[M+CH3COO]-	261.134361	190.6
[M+Na-2H]-	223.095176	147.6
[M]+	202.11996142	153.2
[M]-	202.12105858	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe