CID 94322

3-methylnonadecane

Structural Information

Molecular Formula
C20H42
SMILES
CCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C20H42/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h20H,4-19H2,1-3H3
InChIKey
NYRRMADCQLTNBX-UHFFFAOYSA-N
Compound name
3-methylnonadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

282.32864 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.33592 183.4
[M+Na]+ 305.31786 184.6
[M-H]- 281.32136 181.1
[M+NH4]+ 300.36246 199.6
[M+K]+ 321.29180 181.1
[M+H-H2O]+ 265.32590 176.6
[M+HCOO]- 327.32684 201.5
[M+CH3COO]- 341.34249 210.4
[M+Na-2H]- 303.30331 181.6
[M]+ 282.32809 189.3
[M]- 282.32919 189.3
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