CID 131839777

Lanoceric acid

Structural Information

Molecular Formula
C30H60O4
SMILES
CCCCCCCC(CCCCCCCCCCCCCCC(CCCCCCC(=O)O)O)O
InChI
InChI=1S/C30H60O4/c1-2-3-4-13-18-23-28(31)24-19-14-11-9-7-5-6-8-10-12-15-20-25-29(32)26-21-16-17-22-27-30(33)34/h28-29,31-32H,2-27H2,1H3,(H,33,34)
InChIKey
QGUHQIPBVVVKMJ-UHFFFAOYSA-N
Compound name
8,23-dihydroxytriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.44916 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.45644 233.8
[M+Na]+ 507.43838 237.1
[M-H]- 483.44188 219.4
[M+NH4]+ 502.48298 230.1
[M+K]+ 523.41232 236.9
[M+H-H2O]+ 467.44642 231.9
[M+HCOO]- 529.44736 233.3
[M+CH3COO]- 543.46301 239.7
[M+Na-2H]- 505.42383 218.2
[M]+ 484.44861 231.0
[M]- 484.44971 231.0
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.