CID 13813819

(3-chlorocyclobutyl)methanol

Structural Information

Molecular Formula
C5H9ClO
SMILES
C1C(CC1Cl)CO
InChI
InChI=1S/C5H9ClO/c6-5-1-4(2-5)3-7/h4-5,7H,1-3H2
InChIKey
YETIMGFGOCVNQL-UHFFFAOYSA-N
Compound name
(3-chlorocyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

120.034195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 115.7
[M+Na]+ 143.02341 123.3
[M+NH4]+ 138.06802 121.3
[M+K]+ 158.99735 119.5
[M-H]- 119.02692 114.4
[M+Na-2H]- 141.00886 119.1
[M]+ 120.03365 115.4
[M]- 120.03474 115.4
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