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]+ 184.09682 137.1
[M+Na]+ 206.07876 144.8
[M-H]- 182.08226 141.6
[M+NH4]+ 201.12336 159.3
[M+K]+ 222.05270 144.6
[M+H-H2O]+ 166.08680 133.1
[M+HCOO]- 228.08774 159.7
[M+CH3COO]- 242.10339 182.5
[M+Na-2H]- 204.06421 141.4
[M]+ 183.08899 137.2
[M]- 183.09009 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