CID 42607320

13-methylnonadecane-1,2-diol

Structural Information

Molecular Formula
C20H42O2
SMILES
CCCCCCC(C)CCCCCCCCCCC(CO)O
InChI
InChI=1S/C20H42O2/c1-3-4-5-12-15-19(2)16-13-10-8-6-7-9-11-14-17-20(22)18-21/h19-22H,3-18H2,1-2H3
InChIKey
RZTUZBQLMLKAGT-UHFFFAOYSA-N
Compound name
13-methylnonadecane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.31848 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.32576 191.1
[M+Na]+ 337.30770 191.1
[M-H]- 313.31120 185.9
[M+NH4]+ 332.35230 204.3
[M+K]+ 353.28164 187.3
[M+H-H2O]+ 297.31574 184.3
[M+HCOO]- 359.31668 205.6
[M+CH3COO]- 373.33233 209.4
[M+Na-2H]- 335.29315 187.0
[M]+ 314.31793 195.3
[M]- 314.31903 195.3
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

No patent data available for this compound.