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]+ 258.133576 160.5
[M+Na]+ 280.115518 166.9
[M-H]- 256.119024 159.6
[M+NH4]+ 275.160123 180.2
[M+K]+ 296.089458 165.9
[M+H-H2O]+ 240.123560 157.3
[M+HCOO]- 302.124501 174.1
[M+CH3COO]- 316.140151 190.5
[M+Na-2H]- 278.100966 159.9
[M]+ 257.12575142 161.2
[M]- 257.12684858 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.