CID 21098190

Tert-butyl 3-cyanomorpholine-4-carboxylate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CC(C)(C)OC(=O)N1CCOCC1C#N
InChI
InChI=1S/C10H16N2O3/c1-10(2,3)15-9(13)12-4-5-14-7-8(12)6-11/h8H,4-5,7H2,1-3H3
InChIKey
QSBSEJKNKHZYKD-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyanomorpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
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 148.9
[M+Na]+ 235.10531 157.7
[M+NH4]+ 230.14991 151.7
[M+K]+ 251.07925 151.3
[M-H]- 211.10881 142.0
[M+Na-2H]- 233.09076 149.1
[M]+ 212.11554 147.1
[M]- 212.11664 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe