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 123.4
[M-H]- 119.02692 118.1
[M+NH4]+ 138.06802 132.3
[M+K]+ 158.99735 123.6
[M+H-H2O]+ 103.03146 107.9
[M+HCOO]- 165.03240 132.7
[M+CH3COO]- 179.04805 170.3
[M+Na-2H]- 141.00886 122.1
[M]+ 120.03365 124.2
[M]- 120.03474 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