CID 154577162

3-(chloromethyl)-3ah,4h,5h,6h,7ah-pyrano[3,2-d][1,2]oxazole

Structural Information

Molecular Formula
C7H10ClNO2
SMILES
C1CC2C(OC1)ON=C2CCl
InChI
InChI=1S/C7H10ClNO2/c8-4-6-5-2-1-3-10-7(5)11-9-6/h5,7H,1-4H2
InChIKey
VGYBALMOBWAKSR-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4,5,6,7a-tetrahydro-3aH-pyrano[3,2-d][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04001 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04729 133.8
[M+Na]+ 198.02923 142.1
[M-H]- 174.03273 137.5
[M+NH4]+ 193.07383 153.7
[M+K]+ 214.00317 141.5
[M+H-H2O]+ 158.03727 128.7
[M+HCOO]- 220.03821 147.8
[M+CH3COO]- 234.05386 147.3
[M+Na-2H]- 196.01468 140.8
[M]+ 175.03946 134.9
[M]- 175.04056 134.9
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.