CID 51358543

886365-51-1

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCOCC1CC#N
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(14)13-6-7-15-8-9(13)4-5-12/h9H,4,6-8H2,1-3H3
InChIKey
QFHWUGFJYMIHQG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyanomethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 148.8
[M+Na]+ 249.12096 155.8
[M-H]- 225.12446 150.5
[M+NH4]+ 244.16556 162.8
[M+K]+ 265.09490 156.0
[M+H-H2O]+ 209.12900 135.8
[M+HCOO]- 271.12994 161.7
[M+CH3COO]- 285.14559 199.5
[M+Na-2H]- 247.10641 152.9
[M]+ 226.13119 143.8
[M]- 226.13229 143.8
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.