CID 16227527

923255-38-3

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CC1=NOC(=C1)NC(=O)C(C)Cl
InChI
InChI=1S/C7H9ClN2O2/c1-4-3-6(12-10-4)9-7(11)5(2)8/h3,5H,1-2H3,(H,9,11)
InChIKey
DMJOCQUVYRWOHI-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.03525 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 138.7
[M+Na]+ 211.02447 147.4
[M-H]- 187.02797 141.9
[M+NH4]+ 206.06907 158.1
[M+K]+ 226.99841 146.2
[M+H-H2O]+ 171.03251 133.1
[M+HCOO]- 233.03345 157.4
[M+CH3COO]- 247.04910 182.0
[M+Na-2H]- 209.00992 143.0
[M]+ 188.03470 141.9
[M]- 188.03580 141.9
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.