CID 45476

Butyl 2-butoxycyclopropane-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CCCCOC1CC1C(=O)OCCCC

InChI

InChI=1S/C12H22O3/c1-3-5-7-14-11-9-10(11)12(13)15-8-6-4-2/h10-11H,3-9H2,1-2H3

InChIKey

OJUUXCCHJGMHEO-UHFFFAOYSA-N

Compound name

butyl 2-butoxycyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.15689 Da
Monoisotopic Mass: 2.6
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]+	215.164166	151.8
[M+Na]+	237.146108	159.5
[M-H]-	213.149614	155.9
[M+NH4]+	232.190713	166.1
[M+K]+	253.120048	157.4
[M+H-H2O]+	197.154150	145.3
[M+HCOO]-	259.155091	173.8
[M+CH3COO]-	273.170741	192.9
[M+Na-2H]-	235.131556	154.4
[M]+	214.15634142	159.7
[M]-	214.15743858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.