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 133.9
[M+Na]+ 178.08386 140.6
[M-H]- 154.08736 135.1
[M+NH4]+ 173.12846 158.9
[M+K]+ 194.05780 138.7
[M+H-H2O]+ 138.09190 130.2
[M+HCOO]- 200.09284 153.9
[M+CH3COO]- 214.10849 176.5
[M+Na-2H]- 176.06931 135.5
[M]+ 155.09409 130.0
[M]- 155.09519 130.0
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.