CID 26370182

934236-41-6

Structural Information

Molecular Formula
C5H4ClNO3
SMILES
COC(=O)C1=CN=C(O1)Cl
InChI
InChI=1S/C5H4ClNO3/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
InChIKey
KUCMDJWRQCMWPH-UHFFFAOYSA-N
Compound name
methyl 2-chloro-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

160.98798 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.99526 125.9
[M+Na]+ 183.97720 136.6
[M-H]- 159.98070 129.4
[M+NH4]+ 179.02180 146.8
[M+K]+ 199.95114 136.1
[M+H-H2O]+ 143.98524 121.0
[M+HCOO]- 205.98618 145.5
[M+CH3COO]- 220.00183 172.3
[M+Na-2H]- 181.96265 132.4
[M]+ 160.98743 131.2
[M]- 160.98853 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe