CID 91662989

Tert-butyl 6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC12CCN(CC1O2)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-5-11(4)8(7-12)14-11/h8H,5-7H2,1-4H3
InChIKey
XKAQTGOFXOCTAO-UHFFFAOYSA-N
Compound name
tert-butyl 6-methyl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

213.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 152.0
[M+Na]+ 236.12571 163.4
[M+NH4]+ 231.17031 161.2
[M+K]+ 252.09965 159.1
[M-H]- 212.12921 159.9
[M+Na-2H]- 234.11116 158.1
[M]+ 213.13594 157.1
[M]- 213.13704 157.1
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