CID 537326

2,3-dimethylnonadecane

Structural Information

Molecular Formula
C21H44
SMILES
CCCCCCCCCCCCCCCCC(C)C(C)C
InChI
InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(4)20(2)3/h20-21H,5-19H2,1-4H3
InChIKey
JXKFQCQTFUPIFF-UHFFFAOYSA-N
Compound name
2,3-dimethylnonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

296.3443 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.351576 188.6
[M+Na]+ 319.333518 189.2
[M-H]- 295.337024 186.2
[M+NH4]+ 314.378123 204.2
[M+K]+ 335.307458 185.9
[M+H-H2O]+ 279.341560 181.7
[M+HCOO]- 341.342501 205.4
[M+CH3COO]- 355.358151 214.1
[M+Na-2H]- 317.318966 185.0
[M]+ 296.34375142 194.3
[M]- 296.34484858 194.3
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

patents stripe