CID 75481275

Ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCOC(=O)N1C(COCC1(C)C)C#N
InChI
InChI=1S/C10H16N2O3/c1-4-15-9(13)12-8(5-11)6-14-7-10(12,2)3/h8H,4,6-7H2,1-3H3
InChIKey
GTORJVLRKZFKMV-UHFFFAOYSA-N
Compound name
ethyl 5-cyano-3,3-dimethylmorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 140.4
[M+Na]+ 235.10531 149.4
[M-H]- 211.10881 142.9
[M+NH4]+ 230.14991 157.0
[M+K]+ 251.07925 149.1
[M+H-H2O]+ 195.11335 128.3
[M+HCOO]- 257.11429 155.3
[M+CH3COO]- 271.12994 197.7
[M+Na-2H]- 233.09076 145.3
[M]+ 212.11554 136.5
[M]- 212.11664 136.5
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.