CID 68972

1-triacontanol

Structural Information

Molecular Formula
C30H62O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C30H62O/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/h31H,2-30H2,1H3
InChIKey
REZQBEBOWJAQKS-UHFFFAOYSA-N
Compound name
triacontan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

114
References

16451
Patents

438.48007 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.48735 228.6
[M+Na]+ 461.46929 225.4
[M-H]- 437.47279 222.7
[M+NH4]+ 456.51389 227.7
[M+K]+ 477.44323 218.4
[M+H-H2O]+ 421.47733 219.8
[M+HCOO]- 483.47827 243.0
[M+CH3COO]- 497.49392 238.0
[M+Na-2H]- 459.45474 222.5
[M]+ 438.47952 238.5
[M]- 438.48062 238.5
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