CID 85975961

Anteisoheptacosan-1-ol

Structural Information

Molecular Formula
C27H56O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCC(C)CO
InChI
InChI=1S/C27H56O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(2)26-28/h27-28H,3-26H2,1-2H3
InChIKey
HDHVOYLIGDWPEG-UHFFFAOYSA-N
Compound name
2-methylhexacosan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.4331 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.44038 217.5
[M+Na]+ 419.42232 215.3
[M-H]- 395.42582 212.3
[M+NH4]+ 414.46692 228.3
[M+K]+ 435.39626 209.6
[M+H-H2O]+ 379.43036 209.4
[M+HCOO]- 441.43130 232.0
[M+CH3COO]- 455.44695 230.0
[M+Na-2H]- 417.40777 211.6
[M]+ 396.43255 225.6
[M]- 396.43365 225.6
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.