CID 6437933

Dodecenoyl anhydride

Structural Information

Molecular Formula
C24H42O3
SMILES
CCCCCCCCC/C=C/C(=O)OC(=O)/C=C/CCCCCCCCC
InChI
InChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18H2,1-2H3/b21-19+,22-20+
InChIKey
XNFGZQXMDBREDW-FLFKKZLDSA-N
Compound name
[(E)-dodec-2-enoyl] (E)-dodec-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

450
Patents

378.3134 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.32068 204.8
[M+Na]+ 401.30262 205.6
[M-H]- 377.30612 202.1
[M+NH4]+ 396.34722 208.0
[M+K]+ 417.27656 200.6
[M+H-H2O]+ 361.31066 197.2
[M+HCOO]- 423.31160 218.0
[M+CH3COO]- 437.32725 222.4
[M+Na-2H]- 399.28807 200.0
[M]+ 378.31285 212.9
[M]- 378.31395 212.9
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

patents stripe