CID 183142

2-heptadecylfuran

Structural Information

Molecular Formula
C21H38O
SMILES
CCCCCCCCCCCCCCCCCC1=CC=CO1
InChI
InChI=1S/C21H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22-21/h17,19-20H,2-16,18H2,1H3
InChIKey
ZDPKHSYNGVAHHN-UHFFFAOYSA-N
Compound name
2-heptadecylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

306.29227 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.29955 185.7
[M+Na]+ 329.28149 187.9
[M-H]- 305.28499 187.3
[M+NH4]+ 324.32609 201.1
[M+K]+ 345.25543 184.5
[M+H-H2O]+ 289.28953 178.0
[M+HCOO]- 351.29047 206.1
[M+CH3COO]- 365.30612 209.5
[M+Na-2H]- 327.26694 185.8
[M]+ 306.29172 192.6
[M]- 306.29282 192.6
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