CID 586938

15775-89-0

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1(CC(CCO1)(C#C)O)C
InChI
InChI=1S/C9H14O2/c1-4-9(10)5-6-11-8(2,3)7-9/h1,10H,5-7H2,2-3H3
InChIKey
JMLCAYYFEJNCTR-UHFFFAOYSA-N
Compound name
4-ethynyl-2,2-dimethyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 129.5
[M+Na]+ 177.08860 139.8
[M-H]- 153.09210 131.8
[M+NH4]+ 172.13320 150.5
[M+K]+ 193.06254 136.8
[M+H-H2O]+ 137.09664 120.4
[M+HCOO]- 199.09758 143.1
[M+CH3COO]- 213.11323 181.6
[M+Na-2H]- 175.07405 136.6
[M]+ 154.09883 122.6
[M]- 154.09993 122.6
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

No patent data available for this compound.