CID 72213489

1260666-56-5

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
C1COCC2=C1OC(=N2)CCl
InChI
InChI=1S/C7H8ClNO2/c8-3-7-9-5-4-10-2-1-6(5)11-7/h1-4H2
InChIKey
MGYSQRDPKHQFLD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,7-dihydro-4H-pyrano[3,4-d][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.02435 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.031626 131.9
[M+Na]+ 196.013568 141.2
[M-H]- 172.017074 135.9
[M+NH4]+ 191.058173 151.9
[M+K]+ 211.987508 140.5
[M+H-H2O]+ 156.021610 126.8
[M+HCOO]- 218.022551 147.3
[M+CH3COO]- 232.038201 146.0
[M+Na-2H]- 193.999016 139.9
[M]+ 173.02380142 134.5
[M]- 173.02489858 134.5
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.