CID 2778360

69000-39-1

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
CC1=NOC(=C1)NC(=O)CCl
InChI
InChI=1S/C6H7ClN2O2/c1-4-2-6(11-9-4)8-5(10)3-7/h2H,3H2,1H3,(H,8,10)
InChIKey
XXWIBXGRFWHVCP-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-methyl-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

23
Patents

174.0196 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02688 133.6
[M+Na]+ 197.00882 143.0
[M-H]- 173.01232 136.9
[M+NH4]+ 192.05342 153.7
[M+K]+ 212.98276 141.6
[M+H-H2O]+ 157.01686 128.1
[M+HCOO]- 219.01780 153.6
[M+CH3COO]- 233.03345 178.0
[M+Na-2H]- 194.99427 139.7
[M]+ 174.01905 137.0
[M]- 174.02015 137.0
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