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]+ 225.112136 151.4
[M+Na]+ 247.094078 157.4
[M-H]- 223.097584 151.2
[M+NH4]+ 242.138683 169.7
[M+K]+ 263.068018 155.9
[M+H-H2O]+ 207.102120 146.2
[M+HCOO]- 269.103061 172.4
[M+CH3COO]- 283.118711 187.9
[M+Na-2H]- 245.079526 151.9
[M]+ 224.10431142 155.1
[M]- 224.10540858 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.