CID 85571413

Bicyclo[1.1.1]pentan-1-ol

Structural Information

Molecular Formula
C5H8O
SMILES
C1C2CC1(C2)O
InChI
InChI=1S/C5H8O/c6-5-1-4(2-5)3-5/h4,6H,1-3H2
InChIKey
VXUWETRSZDNLTC-UHFFFAOYSA-N
Compound name
bicyclo[1.1.1]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

84.05752 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 127.1
[M+Na]+ 107.04674 131.9
[M-H]- 83.050244 129.9
[M+NH4]+ 102.09134 134.6
[M+K]+ 123.02068 138.0
[M+H-H2O]+ 67.054780 114.8
[M+HCOO]- 129.05572 140.9
[M+CH3COO]- 143.07137 194.9
[M+Na-2H]- 105.03219 135.7
[M]+ 84.056971 150.8
[M]- 84.058069 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe