CID 6450369

2-hexadecenoic acid anhydride

Structural Information

Molecular Formula
C32H58O3
SMILES
CCCCCCCCCCCCC/C=C/C(=O)OC(=O)/C=C/CCCCCCCCCCCCC
InChI
InChI=1S/C32H58O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3/b29-27+,30-28+
InChIKey
CFJSABLFNNINIE-QAVVBOBSSA-N
Compound name
[(E)-hexadec-2-enoyl] (E)-hexadec-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.4386 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.44588 234.8
[M+Na]+ 513.42782 242.8
[M-H]- 489.43132 221.3
[M+NH4]+ 508.47242 236.7
[M+K]+ 529.40176 241.4
[M+H-H2O]+ 473.43586 235.8
[M+HCOO]- 535.43680 243.8
[M+CH3COO]- 549.45245 245.6
[M+Na-2H]- 511.41327 222.1
[M]+ 490.43805 235.4
[M]- 490.43915 235.4
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.