CID 9862170

20-methylhenicosan-1-ol

Structural Information

Molecular Formula
C22H46O
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C22H46O/c1-22(2)20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23/h22-23H,3-21H2,1-2H3
InChIKey
BTDOKCKNOMJKRY-UHFFFAOYSA-N
Compound name
20-methylhenicosan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

680
Patents

326.35486 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.362136 195.8
[M+Na]+ 349.344078 195.7
[M-H]- 325.347584 191.7
[M+NH4]+ 344.388683 209.5
[M+K]+ 365.318018 191.3
[M+H-H2O]+ 309.352120 188.6
[M+HCOO]- 371.353061 212.0
[M+CH3COO]- 385.368711 215.4
[M+Na-2H]- 347.329526 192.5
[M]+ 326.35431142 202.0
[M]- 326.35540858 202.0
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.