CID 219205

1,1'-ethyne-1,2-diyldicyclopentanol

Structural Information

Molecular Formula
C12H18O2
SMILES
C1CCC(C1)(C#CC2(CCCC2)O)O
InChI
InChI=1S/C12H18O2/c13-11(5-1-2-6-11)9-10-12(14)7-3-4-8-12/h13-14H,1-8H2
InChIKey
NHFDQQFYSLEYAF-UHFFFAOYSA-N
Compound name
1-[2-(1-hydroxycyclopentyl)ethynyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.13068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 151.1
[M+Na]+ 217.11990 160.1
[M-H]- 193.12340 153.3
[M+NH4]+ 212.16450 173.6
[M+K]+ 233.09384 152.3
[M+H-H2O]+ 177.12794 140.9
[M+HCOO]- 239.12888 164.4
[M+CH3COO]- 253.14453 182.1
[M+Na-2H]- 215.10535 152.3
[M]+ 194.13013 140.0
[M]- 194.13123 140.0
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