CID 130934663

2247107-40-8

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1[C@@H]2C[C@H]([C@H]1C[C@H]2N)C(=O)O
InChI
InChI=1S/C8H13NO2/c9-7-3-4-1-5(7)2-6(4)8(10)11/h4-7H,1-3,9H2,(H,10,11)/t4-,5-,6-,7-/m1/s1
InChIKey
GTRUFTQABLIOLT-DBRKOABJSA-N
Compound name
(1R,2R,4R,5R)-5-aminobicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.2
[M+Na]+ 178.08386 138.7
[M+NH4]+ 173.12846 140.6
[M+K]+ 194.05780 138.6
[M-H]- 154.08736 131.6
[M+Na-2H]- 176.06931 132.0
[M]+ 155.09409 132.4
[M]- 155.09519 132.4
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.