CID 6437044

2-butenoic acid, 2-methyl-, propyl ester, (z)-

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CCCOC(=O)/C(=C\C)/C

InChI

InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h5H,4,6H2,1-3H3/b7-5-

InChIKey

RZWMDOQSXWAAMC-ALCCZGGFSA-N

Compound name

propyl (Z)-2-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 222
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	131.7
[M+Na]+	165.088598	138.4
[M-H]-	141.092104	132.0
[M+NH4]+	160.133203	153.5
[M+K]+	181.062538	138.4
[M+H-H2O]+	125.096640	127.2
[M+HCOO]-	187.097581	153.8
[M+CH3COO]-	201.113231	175.7
[M+Na-2H]-	163.074046	135.3
[M]+	142.09883142	133.8
[M]-	142.09992858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe