CID 18084

Vinyl methyladipate

Structural Information

Molecular Formula
C9H14O4
SMILES
COC(=O)CCCCC(=O)OC=C
InChI
InChI=1S/C9H14O4/c1-3-13-9(11)7-5-4-6-8(10)12-2/h3H,1,4-7H2,2H3
InChIKey
ABUZDQCQXDZFRG-UHFFFAOYSA-N
Compound name
6-O-ethenyl 1-O-methyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.0892 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.096476 140.4
[M+Na]+ 209.078418 146.9
[M-H]- 185.081924 140.4
[M+NH4]+ 204.123023 160.2
[M+K]+ 225.052358 146.9
[M+H-H2O]+ 169.086460 135.3
[M+HCOO]- 231.087401 162.9
[M+CH3COO]- 245.103051 181.8
[M+Na-2H]- 207.063866 143.6
[M]+ 186.08865142 145.1
[M]- 186.08974858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe