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 136.2
[M+Na]+ 192.09950 140.1
[M-H]- 168.10300 138.2
[M+NH4]+ 187.14410 149.8
[M+K]+ 208.07344 141.5
[M+H-H2O]+ 152.10754 125.7
[M+HCOO]- 214.10848 152.7
[M+CH3COO]- 228.12413 183.6
[M+Na-2H]- 190.08495 138.7
[M]+ 169.10973 138.9
[M]- 169.11083 138.9
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.