CID 132327653

2126161-57-5

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)(O2)C3=CC=CC=C3
InChI
InChI=1S/C15H19NO3/c1-14(2,3)19-13(17)16-9-12-15(10-16,18-12)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKey
LBLJHKOVKAWICR-UHFFFAOYSA-N
Compound name
tert-butyl 1-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 162.7
[M+Na]+ 284.125718 172.1
[M-H]- 260.129224 170.3
[M+NH4]+ 279.170323 176.9
[M+K]+ 300.099658 170.8
[M+H-H2O]+ 244.133760 157.0
[M+HCOO]- 306.134701 180.3
[M+CH3COO]- 320.150351 196.2
[M+Na-2H]- 282.111166 168.4
[M]+ 261.13595142 168.1
[M]- 261.13704858 168.1
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

No patent data available for this compound.