CID 13175227

13z-hexadecen-11-yn-1-ol

Structural Information

Molecular Formula
C16H28O
SMILES
CC/C=C\C#CCCCCCCCCCCO
InChI
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h3-4,17H,2,7-16H2,1H3/b4-3-
InChIKey
MUVIYYKFZAILBT-ARJAWSKDSA-N
Compound name
(Z)-hexadec-13-en-11-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.21402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 157.8
[M+Na]+ 259.20324 164.0
[M-H]- 235.20674 155.1
[M+NH4]+ 254.24784 173.6
[M+K]+ 275.17718 159.2
[M+H-H2O]+ 219.21128 146.5
[M+HCOO]- 281.21222 172.5
[M+CH3COO]- 295.22787 199.2
[M+Na-2H]- 257.18869 159.3
[M]+ 236.21347 155.6
[M]- 236.21457 155.6
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