CID 3047927

Dtxsid10980607

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CC(=COC(=O)C(=C)C)C

InChI

InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h5H,3H2,1-2,4H3

InChIKey

UBQPQJQGZDSHEX-UHFFFAOYSA-N

Compound name

2-methylprop-1-enyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 140.08372 Da
Monoisotopic Mass: 2.4
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]+	141.090996	129.7
[M+Na]+	163.072938	136.6
[M-H]-	139.076444	130.2
[M+NH4]+	158.117543	151.5
[M+K]+	179.046878	136.4
[M+H-H2O]+	123.080980	125.5
[M+HCOO]-	185.081921	151.1
[M+CH3COO]-	199.097571	175.6
[M+Na-2H]-	161.058386	132.2
[M]+	140.08317142	130.5
[M]-	140.08426858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe