CID 263203

2-ethyl-3-propylacrylic anhydride

Structural Information

Molecular Formula

C₁₆H₂₆O₃

SMILES

CCCC=C(CC)C(=O)OC(=O)C(=CCCC)CC

InChI

InChI=1S/C16H26O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h11-12H,5-10H2,1-4H3

InChIKey

ORYOKKAEFMIUOF-UHFFFAOYSA-N

Compound name

2-ethylhex-2-enoyl 2-ethylhex-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 266.1882 Da
Monoisotopic Mass: 5.1
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]+	267.19548	168.6
[M+Na]+	289.17742	175.6
[M+NH4]+	284.22202	173.0
[M+K]+	305.15136	170.8
[M-H]-	265.18092	165.4
[M+Na-2H]-	287.16287	167.9
[M]+	266.18765	168.1
[M]-	266.18875	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe