CID 9580432

Ccg-47733

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCOC(=O)N/N=C(\C)/C1=C(C=C(O1)C)C
InChI
InChI=1S/C11H16N2O3/c1-5-15-11(14)13-12-9(4)10-7(2)6-8(3)16-10/h6H,5H2,1-4H3,(H,13,14)/b12-9+
InChIKey
LUJMUUORXZVSQW-FMIVXFBMSA-N
Compound name
ethyl N-[(E)-1-(3,5-dimethylfuran-2-yl)ethylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 152.2
[M+Na]+ 247.105308 159.2
[M-H]- 223.108814 158.2
[M+NH4]+ 242.149913 171.4
[M+K]+ 263.079248 160.0
[M+H-H2O]+ 207.113350 145.7
[M+HCOO]- 269.114291 178.4
[M+CH3COO]- 283.129941 196.3
[M+Na-2H]- 245.090756 155.2
[M]+ 224.11554142 156.5
[M]- 224.11663858 156.5
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.