CID 22597429

1-ethynylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H8O
SMILES
C#CC1(CCC1)O
InChI
InChI=1S/C6H8O/c1-2-6(7)4-3-5-6/h1,7H,3-5H2
InChIKey
MXZYOPVAKCCOJN-UHFFFAOYSA-N
Compound name
1-ethynylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

96.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 114.1
[M+Na]+ 119.04674 123.1
[M-H]- 95.050244 116.3
[M+NH4]+ 114.09134 130.6
[M+K]+ 135.02068 124.2
[M+H-H2O]+ 79.054780 101.3
[M+HCOO]- 141.05572 130.2
[M+CH3COO]- 155.07137 176.0
[M+Na-2H]- 117.03219 121.4
[M]+ 96.056971 115.1
[M]- 96.058069 115.1
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