CID 65179919

1491338-21-6

Structural Information

Molecular Formula
C9H12ClNO2
SMILES
C1COCCC1C2=CN=C(O2)CCl
InChI
InChI=1S/C9H12ClNO2/c10-5-9-11-6-8(13-9)7-1-3-12-4-2-7/h6-7H,1-5H2
InChIKey
VYPPYKFCOLBVSY-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-(oxan-4-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.05565 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06293 142.1
[M+Na]+ 224.04487 149.4
[M-H]- 200.04837 147.9
[M+NH4]+ 219.08947 159.5
[M+K]+ 240.01881 148.4
[M+H-H2O]+ 184.05291 135.7
[M+HCOO]- 246.05385 157.0
[M+CH3COO]- 260.06950 155.0
[M+Na-2H]- 222.03032 147.3
[M]+ 201.05510 142.6
[M]- 201.05620 142.6
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.