CID 25131

10292-81-6

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCOC(=O)C(=C1CC(OC(C1)C)C)C#N
InChI
InChI=1S/C12H17NO3/c1-4-15-12(14)11(7-13)10-5-8(2)16-9(3)6-10/h8-9H,4-6H2,1-3H3
InChIKey
ZJUCFKMSYJGSFT-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-(2,6-dimethyloxan-4-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 148.0
[M+Na]+ 246.11007 155.6
[M-H]- 222.11357 151.4
[M+NH4]+ 241.15467 163.5
[M+K]+ 262.08401 154.6
[M+H-H2O]+ 206.11811 135.9
[M+HCOO]- 268.11905 162.7
[M+CH3COO]- 282.13470 201.2
[M+Na-2H]- 244.09552 149.4
[M]+ 223.12030 142.8
[M]- 223.12140 142.8
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.