CID 58186143

N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC1(COC(=O)C1NC(=O)C=C)C
InChI
InChI=1S/C9H13NO3/c1-4-6(11)10-7-8(12)13-5-9(7,2)3/h4,7H,1,5H2,2-3H3,(H,10,11)
InChIKey
DYMBMCIIEXGRKA-UHFFFAOYSA-N
Compound name
N-(4,4-dimethyl-2-oxooxolan-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 137.1
[M+Na]+ 206.078758 144.8
[M-H]- 182.082264 141.6
[M+NH4]+ 201.123363 159.3
[M+K]+ 222.052698 144.6
[M+H-H2O]+ 166.086800 133.1
[M+HCOO]- 228.087741 159.7
[M+CH3COO]- 242.103391 182.5
[M+Na-2H]- 204.064206 141.4
[M]+ 183.08899142 137.2
[M]- 183.09008858 137.2
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