CID 69825

1-pentadecyne

Structural Information

Molecular Formula
C15H28
SMILES
CCCCCCCCCCCCCC#C
InChI
InChI=1S/C15H28/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h1H,4-15H2,2H3
InChIKey
DONJGKADZJEXRJ-UHFFFAOYSA-N
Compound name
pentadec-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2272
Patents

208.2191 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.22638 149.2
[M+Na]+ 231.20832 155.8
[M-H]- 207.21182 147.9
[M+NH4]+ 226.25292 166.6
[M+K]+ 247.18226 152.1
[M+H-H2O]+ 191.21636 137.9
[M+HCOO]- 253.21730 165.1
[M+CH3COO]- 267.23295 199.9
[M+Na-2H]- 229.19377 151.9
[M]+ 208.21855 148.0
[M]- 208.21965 148.0
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