CID 6454788

But-3-enyl hydrogen adipate

Structural Information

Molecular Formula
C10H16O4
SMILES
C=CCCOC(=O)CCCCC(=O)O
InChI
InChI=1S/C10H16O4/c1-2-3-8-14-10(13)7-5-4-6-9(11)12/h2H,1,3-8H2,(H,11,12)
InChIKey
RWHWZXLJKRPBQG-UHFFFAOYSA-N
Compound name
6-but-3-enoxy-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 145.7
[M+Na]+ 223.094078 151.3
[M-H]- 199.097584 144.1
[M+NH4]+ 218.138683 164.1
[M+K]+ 239.068018 150.1
[M+H-H2O]+ 183.102120 140.6
[M+HCOO]- 245.103061 166.3
[M+CH3COO]- 259.118711 182.8
[M+Na-2H]- 221.079526 147.8
[M]+ 200.10431142 149.0
[M]- 200.10540858 149.0
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

No patent data available for this compound.