CID 6433527

Crotylidene dicrotonate

Structural Information

Molecular Formula
C12H16O4
SMILES
C/C=C/C(OC(=O)/C=C/C)OC(=O)/C=C/C
InChI
InChI=1S/C12H16O4/c1-4-7-10(13)15-12(9-6-3)16-11(14)8-5-2/h4-9,12H,1-3H3/b7-4+,8-5+,9-6+
InChIKey
BADIPRCUJPQNIE-OTWDQPKHSA-N
Compound name
[(E)-1-[(E)-but-2-enoyl]oxybut-2-enyl] (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.10486 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 153.5
[M+Na]+ 247.09408 161.3
[M+NH4]+ 242.13868 157.9
[M+K]+ 263.06802 157.0
[M-H]- 223.09758 149.9
[M+Na-2H]- 245.07953 153.5
[M]+ 224.10431 153.0
[M]- 224.10541 153.0
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.