CID 144130

11-hexadecyn-1-ol

Structural Information

Molecular Formula
C16H30O
SMILES
CCCCC#CCCCCCCCCCCO
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-4,7-16H2,1H3
InChIKey
CWJKFTYJCIEEDB-UHFFFAOYSA-N
Compound name
hexadec-11-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

238.22966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 157.7
[M+Na]+ 261.21888 163.6
[M-H]- 237.22238 155.0
[M+NH4]+ 256.26348 173.4
[M+K]+ 277.19282 159.4
[M+H-H2O]+ 221.22692 146.3
[M+HCOO]- 283.22786 172.2
[M+CH3COO]- 297.24351 200.6
[M+Na-2H]- 259.20433 159.3
[M]+ 238.22911 156.2
[M]- 238.23021 156.2
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