CID 15036650

Ethyl 2-cyano-2-(oxan-4-yl)acetate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCOC(=O)C(C#N)C1CCOCC1
InChI
InChI=1S/C10H15NO3/c1-2-14-10(12)9(7-11)8-3-5-13-6-4-8/h8-9H,2-6H2,1H3
InChIKey
NHADJYWWOAZLAQ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-2-(oxan-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 141.2
[M+Na]+ 220.09442 147.6
[M-H]- 196.09792 144.1
[M+NH4]+ 215.13902 157.0
[M+K]+ 236.06836 147.3
[M+H-H2O]+ 180.10246 128.7
[M+HCOO]- 242.10340 156.2
[M+CH3COO]- 256.11905 195.0
[M+Na-2H]- 218.07987 144.7
[M]+ 197.10465 135.3
[M]- 197.10575 135.3
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