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 154.2
[M+Na]+ 236.12571 163.1
[M-H]- 212.12921 158.7
[M+NH4]+ 231.17031 168.9
[M+K]+ 252.09965 163.3
[M+H-H2O]+ 196.13375 148.9
[M+HCOO]- 258.13469 169.4
[M+CH3COO]- 272.15034 189.3
[M+Na-2H]- 234.11116 161.0
[M]+ 213.13594 158.7
[M]- 213.13704 158.7
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