CID 91713855

Forlkmrjcqlqrg-uhfffaoysa-n

Structural Information

Molecular Formula
C15H26O4
SMILES
CCCCOC(=O)CCCCC(=O)OC(C)CC=C
InChI
InChI=1S/C15H26O4/c1-4-6-12-18-14(16)10-7-8-11-15(17)19-13(3)9-5-2/h5,13H,2,4,6-12H2,1,3H3
InChIKey
FORLKMRJCQLQRG-UHFFFAOYSA-N
Compound name
1-O-butyl 6-O-pent-4-en-2-yl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1831 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.190376 168.5
[M+Na]+ 293.172318 172.3
[M-H]- 269.175824 167.5
[M+NH4]+ 288.216923 184.8
[M+K]+ 309.146258 171.3
[M+H-H2O]+ 253.180360 162.4
[M+HCOO]- 315.181301 188.0
[M+CH3COO]- 329.196951 200.6
[M+Na-2H]- 291.157766 167.2
[M]+ 270.18255142 174.9
[M]- 270.18364858 174.9
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.