CID 121553410

3-chlorocyclobutan-1-ol

Structural Information

Molecular Formula
C4H7ClO
SMILES
C1C(CC1Cl)O
InChI
InChI=1S/C4H7ClO/c5-3-1-4(6)2-3/h3-4,6H,1-2H2
InChIKey
VCKZBLJCERMHRB-UHFFFAOYSA-N
Compound name
3-chlorocyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

106.01854 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 111.0
[M+Na]+ 129.00776 119.0
[M-H]- 105.01126 113.6
[M+NH4]+ 124.05236 128.1
[M+K]+ 144.98170 119.5
[M+H-H2O]+ 89.015800 103.4
[M+HCOO]- 151.01674 128.3
[M+CH3COO]- 165.03239 167.4
[M+Na-2H]- 126.99321 117.9
[M]+ 106.01799 119.0
[M]- 106.01909 119.0
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

No patent data available for this compound.