CID 145867356

2375250-76-1

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8(9)10(11)12(16)17/h8-11H,4-7H2,1-3H3,(H,15,18)(H,16,17)/t8-,9+,10-,11-/m0/s1
InChIKey
LPTNDAAGENMGBC-VLEAKVRGSA-N
Compound name
(1R,6S,7S,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[4.2.0]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 168.0
[M+Na]+ 292.15194 169.8
[M+NH4]+ 287.19654 169.7
[M+K]+ 308.12588 168.7
[M-H]- 268.15544 164.1
[M+Na-2H]- 290.13739 165.1
[M]+ 269.16217 165.5
[M]- 269.16327 165.5
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.