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]+ 151.05203 127.8
[M+Na]+ 173.03397 134.5
[M-H]- 149.03747 130.2
[M+NH4]+ 168.07857 149.6
[M+K]+ 189.00791 133.3
[M+H-H2O]+ 133.04201 124.5
[M+HCOO]- 195.04295 142.5
[M+CH3COO]- 209.05860 168.1
[M+Na-2H]- 171.01942 135.8
[M]+ 150.04420 126.0
[M]- 150.04530 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.