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 151.4
[M+Na]+ 247.09408 157.4
[M-H]- 223.09758 151.2
[M+NH4]+ 242.13868 169.7
[M+K]+ 263.06802 155.9
[M+H-H2O]+ 207.10212 146.2
[M+HCOO]- 269.10306 172.4
[M+CH3COO]- 283.11871 187.9
[M+Na-2H]- 245.07953 151.9
[M]+ 224.10431 155.1
[M]- 224.10541 155.1
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

No patent data available for this compound.