CID 23395202

1055760-97-8

Structural Information

Molecular Formula
C13H19NO6
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(C2C(=O)O)C(=O)O
InChI
InChI=1S/C13H19NO6/c1-13(2,3)20-12(19)14-6-4-5-7(14)9(11(17)18)8(6)10(15)16/h6-9H,4-5H2,1-3H3,(H,15,16)(H,17,18)
InChIKey
BLXZJROBTIMWKP-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

285.12125 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 165.4
[M+Na]+ 308.11047 171.1
[M-H]- 284.11397 164.5
[M+NH4]+ 303.15507 183.8
[M+K]+ 324.08441 170.6
[M+H-H2O]+ 268.11851 162.3
[M+HCOO]- 330.11945 178.2
[M+CH3COO]- 344.13510 195.9
[M+Na-2H]- 306.09592 163.7
[M]+ 285.12070 166.7
[M]- 285.12180 166.7
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

patents stripe