CID 76218

Cyclobutanol

Structural Information

Molecular Formula
C4H8O
SMILES
C1CC(C1)O
InChI
InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2
InChIKey
KTHXBEHDVMTNOH-UHFFFAOYSA-N
Compound name
cyclobutanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

38
References

37575
Patents

72.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 108.2
[M+Na]+ 95.046738 114.3
[M-H]- 71.050244 110.7
[M+NH4]+ 90.091343 125.4
[M+K]+ 111.02068 117.1
[M+H-H2O]+ 55.054780 99.4
[M+HCOO]- 117.05572 129.8
[M+CH3COO]- 131.07137 162.5
[M+Na-2H]- 93.032186 115.9
[M]+ 72.056971 114.1
[M]- 72.058069 114.1
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