CID 536504

3-decyn-2-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CCCCCCC#CC(C)O
InChI
InChI=1S/C10H18O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-7H2,1-2H3
InChIKey
PGIQIBRWODQISW-UHFFFAOYSA-N
Compound name
dec-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 135.8
[M+Na]+ 177.124988 143.7
[M-H]- 153.128494 134.1
[M+NH4]+ 172.169593 154.5
[M+K]+ 193.098928 141.3
[M+H-H2O]+ 137.133030 125.5
[M+HCOO]- 199.133971 151.1
[M+CH3COO]- 213.149621 185.1
[M+Na-2H]- 175.110436 138.9
[M]+ 154.13522142 131.6
[M]- 154.13631858 131.6
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