CID 16682988

Ncgc00160596-02

Structural Information

Molecular Formula
C18H35AlO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[Al]
InChI
InChI=1S/C18H36O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
InChIKey
RMHMCAVBXYSACO-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

133589
Patents

310.24524 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.252516 184.8
[M+Na]+ 333.234458 186.8
[M-H]- 309.237964 182.7
[M+NH4]+ 328.279063 200.3
[M+K]+ 349.208398 183.9
[M+H-H2O]+ 293.242500 177.8
[M+HCOO]- 355.243441 204.0
[M+CH3COO]- 369.259091 209.5
[M+Na-2H]- 331.219906 183.6
[M]+ 310.24469142 192.6
[M]- 310.24578858 192.6
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