CID 69527

Lauric anhydride

Structural Information

Molecular Formula
C24H46O3
SMILES
CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C24H46O3/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/h3-22H2,1-2H3
InChIKey
NWADXBLMWHFGGU-UHFFFAOYSA-N
Compound name
dodecanoyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3286
Patents

382.3447 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.35198 208.1
[M+Na]+ 405.33392 208.1
[M-H]- 381.33742 205.2
[M+NH4]+ 400.37852 211.6
[M+K]+ 421.30786 204.3
[M+H-H2O]+ 365.34196 200.2
[M+HCOO]- 427.34290 220.5
[M+CH3COO]- 441.35855 225.3
[M+Na-2H]- 403.31937 203.1
[M]+ 382.34415 217.7
[M]- 382.34525 217.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe