CID 557015

5-hexadecyne

Structural Information

Molecular Formula
C16H30
SMILES
CCCCCCCCCCC#CCCCC
InChI
InChI=1S/C16H30/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-9,11,13-16H2,1-2H3
InChIKey
QMIJSVFNLQOMAY-UHFFFAOYSA-N
Compound name
hexadec-5-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

222.23476 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.242036 153.8
[M+Na]+ 245.223978 160.1
[M-H]- 221.227484 152.4
[M+NH4]+ 240.268583 170.8
[M+K]+ 261.197918 156.2
[M+H-H2O]+ 205.232020 142.4
[M+HCOO]- 267.232961 169.4
[M+CH3COO]- 281.248611 201.4
[M+Na-2H]- 243.209426 156.0
[M]+ 222.23421142 152.7
[M]- 222.23530858 152.7
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