CID 145867367

2361798-87-8

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC[C@@H]2[C@H](C1)[C@@H]([C@H]2N)C(=O)O
InChI
InChI=1S/C9H15NO2/c10-8-6-4-2-1-3-5(6)7(8)9(11)12/h5-8H,1-4,10H2,(H,11,12)/t5-,6+,7-,8-/m0/s1
InChIKey
CVEGBBSJQUAHNB-YWIQKCBGSA-N
Compound name
(1R,6S,7S,8S)-8-aminobicyclo[4.2.0]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 139.2
[M+Na]+ 192.09950 143.3
[M+NH4]+ 187.14410 143.3
[M+K]+ 208.07344 140.7
[M-H]- 168.10300 137.4
[M+Na-2H]- 190.08495 138.6
[M]+ 169.10973 137.7
[M]- 169.11083 137.7
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

No patent data available for this compound.