CID 10471

Triacontanoic acid

Structural Information

Molecular Formula
C30H60O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C30H60O2/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/h2-29H2,1H3,(H,31,32)
InChIKey
VHOCUJPBKOZGJD-UHFFFAOYSA-N
Compound name
triacontanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

16199
Patents

452.45932 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.46660 231.4
[M+Na]+ 475.44854 228.2
[M-H]- 451.45204 214.0
[M+NH4]+ 470.49314 228.2
[M+K]+ 491.42248 221.6
[M+H-H2O]+ 435.45658 222.5
[M+HCOO]- 497.45752 239.5
[M+CH3COO]- 511.47317 239.7
[M+Na-2H]- 473.43399 224.0
[M]+ 452.45877 232.1
[M]- 452.45987 232.1
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