CID 50986391

1303890-50-7

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1[C@H]2C(=O)O
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-4-5-6(7(5)11)8(12)13/h5-7H,4H2,1-3H3,(H,12,13)/t5-,6-,7-/m0/s1
InChIKey
APYUCTKXUWRVCB-ACZMJKKPSA-N
Compound name
(1S,4R,5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.0]pentane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.10011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 151.5
[M+Na]+ 236.08933 159.6
[M-H]- 212.09283 154.4
[M+NH4]+ 231.13393 158.9
[M+K]+ 252.06327 160.1
[M+H-H2O]+ 196.09737 141.4
[M+HCOO]- 258.09831 167.0
[M+CH3COO]- 272.11396 192.2
[M+Na-2H]- 234.07478 154.3
[M]+ 213.09956 164.9
[M]- 213.10066 164.9
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.