CID 94485

Tetratriacontanoic acid

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C34H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h2-33H2,1H3,(H,35,36)
InChIKey
UTGPYHWDXYRYGT-UHFFFAOYSA-N
Compound name
tetratriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3165
Patents

508.52194 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.52922 246.2
[M+Na]+ 531.51116 250.8
[M-H]- 507.51466 226.7
[M+NH4]+ 526.55576 242.3
[M+K]+ 547.48510 251.4
[M+H-H2O]+ 491.51920 244.7
[M+HCOO]- 553.52014 252.2
[M+CH3COO]- 567.53579 251.1
[M+Na-2H]- 529.49661 229.9
[M]+ 508.52139 245.8
[M]- 508.52249 245.8
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