CID 97111901

1290626-94-6

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1[C@H]2C[C@@H]([C@H]1C(=O)O)C[C@@H]2O
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(17)13-7-4-6(5-8(7)14)9(13)10(15)16/h6-9,14H,4-5H2,1-3H3,(H,15,16)/t6-,7+,8+,9+/m1/s1
InChIKey
ARWLIMOJIMFGRX-XGEHTFHBSA-N
Compound name
(1S,3S,4R,6S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 160.5
[M+Na]+ 280.11552 166.9
[M-H]- 256.11902 159.6
[M+NH4]+ 275.16012 180.2
[M+K]+ 296.08946 165.9
[M+H-H2O]+ 240.12356 157.3
[M+HCOO]- 302.12450 174.1
[M+CH3COO]- 316.14015 190.5
[M+Na-2H]- 278.10097 159.9
[M]+ 257.12575 161.2
[M]- 257.12685 161.2
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.