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

9
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

patents stripe