CID 57389355

1174020-25-7

Structural Information

Molecular Formula
C14H16N2O4
SMILES
C1C[C@H](N2C[C@@H]1N(C2=O)OCC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C14H16N2O4/c17-13(18)12-7-6-11-8-15(12)14(19)16(11)20-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,17,18)/t11-,12+/m1/s1
InChIKey
UMHGLONVYIYIOU-NEPJUHHUSA-N
Compound name
(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

276.111 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 162.3
[M+Na]+ 299.10022 172.3
[M+NH4]+ 294.14482 168.8
[M+K]+ 315.07416 169.3
[M-H]- 275.10372 162.2
[M+Na-2H]- 297.08567 164.3
[M]+ 276.11045 163.3
[M]- 276.11155 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe