CID 6365336

3207-09-8

Structural Information

Molecular Formula
C10H16O5
SMILES
CCCCOC(=O)/C=C/C(=O)OCCO
InChI
InChI=1S/C10H16O5/c1-2-3-7-14-9(12)4-5-10(13)15-8-6-11/h4-5,11H,2-3,6-8H2,1H3/b5-4+
InChIKey
PUDIPIBJWKQFNR-SNAWJCMRSA-N
Compound name
1-O-butyl 4-O-(2-hydroxyethyl) (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

385
Patents

216.09978 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 148.6
[M+Na]+ 239.08900 154.3
[M-H]- 215.09250 147.0
[M+NH4]+ 234.13360 166.4
[M+K]+ 255.06294 153.6
[M+H-H2O]+ 199.09704 143.2
[M+HCOO]- 261.09798 169.5
[M+CH3COO]- 275.11363 183.6
[M+Na-2H]- 237.07445 150.7
[M]+ 216.09923 153.2
[M]- 216.10033 153.2
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