CID 139026843

Rac-(1r,5s,6s,7s)-7-aminobicyclo[3.2.0]heptane-6-carboxylic acid hydrochloride

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]+ 156.101916 132.3
[M+Na]+ 178.083858 137.2
[M-H]- 154.087364 134.9
[M+NH4]+ 173.128463 148.3
[M+K]+ 194.057798 138.6
[M+H-H2O]+ 138.091900 122.7
[M+HCOO]- 200.092841 151.2
[M+CH3COO]- 214.108491 180.3
[M+Na-2H]- 176.069306 134.1
[M]+ 155.09409142 136.7
[M]- 155.09518858 136.7
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.