CID 5282595

Ceroplastic acid

Structural Information

Molecular Formula
C35H70O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C35H70O2/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)37/h2-34H2,1H3,(H,36,37)
InChIKey
HVUCKZJUWZBJDP-UHFFFAOYSA-N
Compound name
pentatriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2427
Patents

522.5376 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.54488 249.7
[M+Na]+ 545.52682 254.1
[M-H]- 521.53032 229.8
[M+NH4]+ 540.57142 245.7
[M+K]+ 561.50076 255.1
[M+H-H2O]+ 505.53486 248.1
[M+HCOO]- 567.53580 255.3
[M+CH3COO]- 581.55145 253.9
[M+Na-2H]- 543.51227 232.9
[M]+ 522.53705 249.2
[M]- 522.53815 249.2
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