CID 189001

3-methylpentacosane

Structural Information

Molecular Formula
C26H54
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C26H54/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(3)5-2/h26H,4-25H2,1-3H3
InChIKey
VNSJCJLDAGMPAO-UHFFFAOYSA-N
Compound name
3-methylpentacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

167
Patents

366.42255 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.42983 210.0
[M+Na]+ 389.41177 208.7
[M-H]- 365.41527 206.5
[M+NH4]+ 384.45637 222.8
[M+K]+ 405.38571 203.6
[M+H-H2O]+ 349.41981 202.0
[M+HCOO]- 411.42075 226.1
[M+CH3COO]- 425.43640 228.1
[M+Na-2H]- 387.39722 205.0
[M]+ 366.42200 218.2
[M]- 366.42310 218.2
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