CID 76015

10-undecyn-1-ol

Structural Information

Molecular Formula
C11H20O
SMILES
C#CCCCCCCCCCO
InChI
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
InChIKey
YUQZOUNRPZBQJK-UHFFFAOYSA-N
Compound name
undec-10-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

377
Patents

168.15141 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 137.7
[M+Na]+ 191.14063 145.2
[M-H]- 167.14413 135.6
[M+NH4]+ 186.18523 155.7
[M+K]+ 207.11457 142.2
[M+H-H2O]+ 151.14867 127.0
[M+HCOO]- 213.14961 153.6
[M+CH3COO]- 227.16526 188.3
[M+Na-2H]- 189.12608 141.6
[M]+ 168.15086 134.6
[M]- 168.15196 134.6
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