CID 139026843

2361609-82-5

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C[C@H]2[C@@H](C1)[C@@H]([C@H]2C(=O)O)N
InChI
InChI=1S/C8H13NO2/c9-7-5-3-1-2-4(5)6(7)8(10)11/h4-7H,1-3,9H2,(H,10,11)/t4-,5+,6-,7-/m0/s1
InChIKey
NGAOEHCAPJHEPT-VZFHVOOUSA-N
Compound name
(1R,5S,6S,7S)-7-aminobicyclo[3.2.0]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.3
[M+Na]+ 178.08386 138.4
[M+NH4]+ 173.12846 139.3
[M+K]+ 194.05780 138.2
[M-H]- 154.08736 132.8
[M+Na-2H]- 176.06931 134.0
[M]+ 155.09409 133.4
[M]- 155.09519 133.4
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.