CID 13684685

Cyclopropanecarboxylic acid, 1-methylpropyl ester

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCC(C)OC(=O)C1CC1

InChI

InChI=1S/C8H14O2/c1-3-6(2)10-8(9)7-4-5-7/h6-7H,3-5H2,1-2H3

InChIKey

NKAYULLAAWREDC-UHFFFAOYSA-N

Compound name

butan-2-yl cyclopropanecarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 49
Patents: 142.09938 Da
Monoisotopic Mass: 2.2
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]+	143.106656	131.3
[M+Na]+	165.088598	139.6
[M-H]-	141.092104	135.9
[M+NH4]+	160.133203	148.1
[M+K]+	181.062538	138.6
[M+H-H2O]+	125.096640	125.6
[M+HCOO]-	187.097581	153.6
[M+CH3COO]-	201.113231	179.2
[M+Na-2H]-	163.074046	135.6
[M]+	142.09883142	135.3
[M]-	142.09992858	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe