CID 12391

Pentadecane

Structural Information

Molecular Formula
C15H32
SMILES
CCCCCCCCCCCCCCC
InChI
InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKey
YCOZIPAWZNQLMR-UHFFFAOYSA-N
Compound name
pentadecane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

148
References

105981
Patents

212.2504 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.257676 159.8
[M+Na]+ 235.239618 163.3
[M-H]- 211.243124 158.5
[M+NH4]+ 230.284223 179.0
[M+K]+ 251.213558 160.9
[M+H-H2O]+ 195.247660 154.0
[M+HCOO]- 257.248601 180.7
[M+CH3COO]- 271.264251 194.7
[M+Na-2H]- 233.225066 162.2
[M]+ 212.24985142 164.6
[M]- 212.25094858 164.6
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