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]+ 198.112476 141.2
[M+Na]+ 220.094418 147.6
[M-H]- 196.097924 144.1
[M+NH4]+ 215.139023 157.0
[M+K]+ 236.068358 147.3
[M+H-H2O]+ 180.102460 128.7
[M+HCOO]- 242.103401 156.2
[M+CH3COO]- 256.119051 195.0
[M+Na-2H]- 218.079866 144.7
[M]+ 197.10465142 135.3
[M]- 197.10574858 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