CID 4054636

Ethyl (5-methylisoxazol-3-yl)carbamate

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CCOC(=O)NC1=NOC(=C1)C
InChI
InChI=1S/C7H10N2O3/c1-3-11-7(10)8-6-4-5(2)12-9-6/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey
MLZYZEAETPCEON-UHFFFAOYSA-N
Compound name
ethyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

170.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.0
[M+Na]+ 193.058358 142.3
[M-H]- 169.061864 137.4
[M+NH4]+ 188.102963 153.5
[M+K]+ 209.032298 143.2
[M+H-H2O]+ 153.066400 127.6
[M+HCOO]- 215.067341 158.7
[M+CH3COO]- 229.082991 178.6
[M+Na-2H]- 191.043806 140.3
[M]+ 170.06859142 137.4
[M]- 170.06968858 137.4
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

patents stripe