CID 167714494

En300-37332318

Structural Information

Molecular Formula
C13H19NO6
SMILES
CC(C)(C)OC(=O)N1C[C@@]2(C[C@@]2(C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C13H19NO6/c1-11(2,3)20-10(18)14-6-12(8(15)16)5-13(12,7-14)9(17)19-4/h5-7H2,1-4H3,(H,15,16)/t12-,13+/m0/s1
InChIKey
HEAQYSVXOVJHIA-QWHCGFSZSA-N
Compound name
(1S,5R)-5-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12125 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 167.1
[M+Na]+ 308.11047 175.8
[M-H]- 284.11397 169.7
[M+NH4]+ 303.15507 182.6
[M+K]+ 324.08441 174.9
[M+H-H2O]+ 268.11851 165.0
[M+HCOO]- 330.11945 181.4
[M+CH3COO]- 344.13510 197.4
[M+Na-2H]- 306.09592 170.5
[M]+ 285.12070 174.3
[M]- 285.12180 174.3
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.