CID 20357965

67385-21-1

Structural Information

Molecular Formula

C₁₄H₂₄O₄

SMILES

CCC(COCC=C)(COCC=C)COC(=O)C

InChI

InChI=1S/C14H24O4/c1-5-8-16-10-14(7-3,11-17-9-6-2)12-18-13(4)15/h5-6H,1-2,7-12H2,3-4H3

InChIKey

FTSUUEFAMCQXNR-UHFFFAOYSA-N

Compound name

2,2-bis(prop-2-enoxymethyl)butyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.16745 Da
Monoisotopic Mass: 2.1
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]+	257.17473	162.7
[M+Na]+	279.15667	167.8
[M-H]-	255.16017	162.0
[M+NH4]+	274.20127	179.8
[M+K]+	295.13061	166.4
[M+H-H2O]+	239.16471	157.3
[M+HCOO]-	301.16565	183.0
[M+CH3COO]-	315.18130	196.9
[M+Na-2H]-	277.14212	165.4
[M]+	256.16690	169.7
[M]-	256.16800	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe