CID 3034434

1343z0lnsa

Structural Information

Molecular Formula

C₁₂H₁₈O₅

SMILES

CC(COCC(C)OC(=O)C=C)OC(=O)C=C

InChI

InChI=1S/C12H18O5/c1-5-11(13)16-9(3)7-15-8-10(4)17-12(14)6-2/h5-6,9-10H,1-2,7-8H2,3-4H3

InChIKey

RNJVAUBBYGWVBF-UHFFFAOYSA-N

Compound name

1-(2-prop-2-enoyloxypropoxy)propan-2-yl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 611
Patents: 242.11542 Da
Monoisotopic Mass: 1.9
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]+	243.12270	155.0
[M+Na]+	265.10464	160.1
[M-H]-	241.10814	154.7
[M+NH4]+	260.14924	172.3
[M+K]+	281.07858	160.3
[M+H-H2O]+	225.11268	149.5
[M+HCOO]-	287.11362	175.0
[M+CH3COO]-	301.12927	193.7
[M+Na-2H]-	263.09009	154.3
[M]+	242.11487	160.4
[M]-	242.11597	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe