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

726
Patents

326.35486 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.36214 195.8
[M+Na]+ 349.34408 195.7
[M-H]- 325.34758 191.7
[M+NH4]+ 344.38868 209.5
[M+K]+ 365.31802 191.3
[M+H-H2O]+ 309.35212 188.6
[M+HCOO]- 371.35306 212.0
[M+CH3COO]- 385.36871 215.4
[M+Na-2H]- 347.32953 192.5
[M]+ 326.35431 202.0
[M]- 326.35541 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

literature stripe

Patent stripe

patents stripe