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

66
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 144.8
[M+Na]+ 235.10531 152.2
[M-H]- 211.10881 146.7
[M+NH4]+ 230.14991 159.3
[M+K]+ 251.07925 152.6
[M+H-H2O]+ 195.11335 131.9
[M+HCOO]- 257.11429 158.0
[M+CH3COO]- 271.12994 196.8
[M+Na-2H]- 233.09076 149.4
[M]+ 212.11554 139.5
[M]- 212.11664 139.5
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