CID 71370086

2,5-dimethylnonadecane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.3443 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.35158 188.6
[M+Na]+ 319.33352 189.2
[M-H]- 295.33702 186.2
[M+NH4]+ 314.37812 204.2
[M+K]+ 335.30746 185.9
[M+H-H2O]+ 279.34156 181.7
[M+HCOO]- 341.34250 205.4
[M+CH3COO]- 355.35815 214.1
[M+Na-2H]- 317.31897 185.0
[M]+ 296.34375 194.3
[M]- 296.34485 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.