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: 17
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]+	267.195476	168.7
[M+Na]+	289.177418	172.5
[M-H]-	265.180924	167.8
[M+NH4]+	284.222023	185.4
[M+K]+	305.151358	170.6
[M+H-H2O]+	249.185460	163.0
[M+HCOO]-	311.186401	187.0
[M+CH3COO]-	325.202051	200.3
[M+Na-2H]-	287.162866	165.7
[M]+	266.18765142	172.5
[M]-	266.18874858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe