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

17
Patents

120.034195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.041471 115.7
[M+Na]+ 143.023413 123.4
[M-H]- 119.026919 118.1
[M+NH4]+ 138.068018 132.3
[M+K]+ 158.997353 123.6
[M+H-H2O]+ 103.031455 107.9
[M+HCOO]- 165.032396 132.7
[M+CH3COO]- 179.048046 170.3
[M+Na-2H]- 141.008861 122.1
[M]+ 120.03364642 124.2
[M]- 120.03474358 124.2
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