CID 19255

Dotriacontanoic acid

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C32H64O2/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/h2-31H2,1H3,(H,33,34)
InChIKey
ICAIHSUWWZJGHD-UHFFFAOYSA-N
Compound name
dotriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

4659
Patents

480.49063 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.49791 239.7
[M+Na]+ 503.47985 244.1
[M-H]- 479.48335 220.4
[M+NH4]+ 498.52445 235.3
[M+K]+ 519.45379 228.6
[M+H-H2O]+ 463.48789 230.5
[M+HCOO]- 525.48883 245.9
[M+CH3COO]- 539.50448 245.4
[M+Na-2H]- 501.46530 231.3
[M]+ 480.49008 239.0
[M]- 480.49118 239.0
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