CID 13415076

(4-chlorooxan-4-yl)methanol

Structural Information

Molecular Formula
C6H11ClO2
SMILES
C1COCCC1(CO)Cl
InChI
InChI=1S/C6H11ClO2/c7-6(5-8)1-3-9-4-2-6/h8H,1-5H2
InChIKey
WTBQFDVYILPHKR-UHFFFAOYSA-N
Compound name
(4-chlorooxan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04475 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.052026 127.8
[M+Na]+ 173.033968 134.5
[M-H]- 149.037474 130.2
[M+NH4]+ 168.078573 149.6
[M+K]+ 189.007908 133.3
[M+H-H2O]+ 133.042010 124.5
[M+HCOO]- 195.042951 142.5
[M+CH3COO]- 209.058601 168.1
[M+Na-2H]- 171.019416 135.8
[M]+ 150.04420142 126.0
[M]- 150.04529858 126.0
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

No patent data available for this compound.