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 221.8
[M+Na]+ 433.43798 219.2
[M-H]- 409.44148 216.4
[M+NH4]+ 428.48258 232.0
[M+K]+ 449.41192 213.2
[M+H-H2O]+ 393.44602 213.4
[M+HCOO]- 455.44696 235.9
[M+CH3COO]- 469.46261 232.9
[M+Na-2H]- 431.42343 215.3
[M]+ 410.44821 230.3
[M]- 410.44931 230.3
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.