CID 72213489

2-(chloromethyl)-6,7-dihydro-4h-pyrano[3,4-d]oxazole

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]+ 174.03163 131.9
[M+Na]+ 196.01357 141.2
[M-H]- 172.01707 135.9
[M+NH4]+ 191.05817 151.9
[M+K]+ 211.98751 140.5
[M+H-H2O]+ 156.02161 126.8
[M+HCOO]- 218.02255 147.3
[M+CH3COO]- 232.03820 146.0
[M+Na-2H]- 193.99902 139.9
[M]+ 173.02380 134.5
[M]- 173.02490 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.