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]+ 156.10192 132.3
[M+Na]+ 178.08386 137.2
[M-H]- 154.08736 134.9
[M+NH4]+ 173.12846 148.3
[M+K]+ 194.05780 138.6
[M+H-H2O]+ 138.09190 122.7
[M+HCOO]- 200.09284 151.2
[M+CH3COO]- 214.10849 180.3
[M+Na-2H]- 176.06931 134.1
[M]+ 155.09409 136.7
[M]- 155.09519 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.