CID 157009874

Anteisomontanyl alcohol

Structural Information

Molecular Formula
C28H58O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(C)CO
InChI
InChI=1S/C28H58O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(2)27-29/h28-29H,3-27H2,1-2H3
InChIKey
DSQOFHNRHMPJPY-UHFFFAOYSA-N
Compound name
2-methylheptacosan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.44876 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.45604 218.6
[M+Na]+ 433.43798 224.3
[M+NH4]+ 428.48258 222.8
[M+K]+ 449.41192 213.8
[M-H]- 409.44148 217.1
[M+Na-2H]- 431.42343 216.6
[M]+ 410.44821 218.7
[M]- 410.44931 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.