CID 81606

Cyclopentanol, 1,1'-(1,3-butadiyne-1,4-diyl)bis-

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CCC(C1)(C#CC#CC2(CCCC2)O)O
InChI
InChI=1S/C14H18O2/c15-13(7-1-2-8-13)11-5-6-12-14(16)9-3-4-10-14/h15-16H,1-4,7-10H2
InChIKey
UOUCEWJFYFFIKW-UHFFFAOYSA-N
Compound name
1-[4-(1-hydroxycyclopentyl)buta-1,3-diynyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 167.0
[M+Na]+ 241.11990 173.0
[M+NH4]+ 236.16450 169.1
[M+K]+ 257.09384 163.1
[M-H]- 217.12340 155.6
[M+Na-2H]- 239.10535 165.9
[M]+ 218.13013 163.4
[M]- 218.13123 163.4
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