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]+ 262.14378 162.7
[M+Na]+ 284.12572 172.1
[M-H]- 260.12922 170.3
[M+NH4]+ 279.17032 176.9
[M+K]+ 300.09966 170.8
[M+H-H2O]+ 244.13376 157.0
[M+HCOO]- 306.13470 180.3
[M+CH3COO]- 320.15035 196.2
[M+Na-2H]- 282.11117 168.4
[M]+ 261.13595 168.1
[M]- 261.13705 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.