CID 5312787

30-hydroxytriacontanoic acid

Structural Information

Molecular Formula
C30H60O3
SMILES
C(CCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCO
InChI
InChI=1S/C30H60O3/c31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30(32)33/h31H,1-29H2,(H,32,33)
InChIKey
IRPZBVZGZKVXHG-UHFFFAOYSA-N
Compound name
30-hydroxytriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

468.45425 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.46153 233.6
[M+Na]+ 491.44347 237.3
[M-H]- 467.44697 215.8
[M+NH4]+ 486.48807 228.1
[M+K]+ 507.41741 223.0
[M+H-H2O]+ 451.45151 224.7
[M+HCOO]- 513.45245 239.4
[M+CH3COO]- 527.46810 238.9
[M+Na-2H]- 489.42892 225.9
[M]+ 468.45370 232.1
[M]- 468.45480 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