CID 3015374

Heneicosene

Structural Information

Molecular Formula
C21H42
SMILES
CCCCCCCCCCCCCCCCCCCC=C
InChI
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3H,1,4-21H2,2H3
InChIKey
JTOGFHAZQVDOAO-UHFFFAOYSA-N
Compound name
henicos-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4152
Patents

294.32864 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.33592 185.0
[M+Na]+ 317.31786 186.3
[M-H]- 293.32136 182.5
[M+NH4]+ 312.36246 200.7
[M+K]+ 333.29180 181.6
[M+H-H2O]+ 277.32590 178.0
[M+HCOO]- 339.32684 204.0
[M+CH3COO]- 353.34249 211.8
[M+Na-2H]- 315.30331 184.1
[M]+ 294.32809 191.4
[M]- 294.32919 191.4
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