CID 243696

1-nonacosanol

Structural Information

Molecular Formula
C29H60O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C29H60O/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/h30H,2-29H2,1H3
InChIKey
PKBSGDQYUYBUDY-UHFFFAOYSA-N
Compound name
nonacosan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2091
Patents

424.46442 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.47170 224.5
[M+Na]+ 447.45364 221.6
[M-H]- 423.45714 218.8
[M+NH4]+ 442.49824 224.1
[M+K]+ 463.42758 214.9
[M+H-H2O]+ 407.46168 215.8
[M+HCOO]- 469.46262 239.8
[M+CH3COO]- 483.47827 235.1
[M+Na-2H]- 445.43909 218.8
[M]+ 424.46387 234.0
[M]- 424.46497 234.0
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