CID 543817

10-methyl-10-nonadecanol

Structural Information

Molecular Formula
C20H42O
SMILES
CCCCCCCCCC(C)(CCCCCCCCC)O
InChI
InChI=1S/C20H42O/c1-4-6-8-10-12-14-16-18-20(3,21)19-17-15-13-11-9-7-5-2/h21H,4-19H2,1-3H3
InChIKey
BTFNSSWQSTYKHB-UHFFFAOYSA-N
Compound name
10-methylnonadecan-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

298.32358 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.330856 186.4
[M+Na]+ 321.312798 187.9
[M-H]- 297.316304 183.0
[M+NH4]+ 316.357403 201.5
[M+K]+ 337.286738 183.9
[M+H-H2O]+ 281.320840 180.2
[M+HCOO]- 343.321781 202.8
[M+CH3COO]- 357.337431 209.1
[M+Na-2H]- 319.298246 186.2
[M]+ 298.32303142 192.1
[M]- 298.32412858 192.1
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

patents stripe