CID 155820785

2752076-92-7

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C[C@]2([C@@H]1CNC2)CC(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)3-8-2-1-6(8)4-9-5-8/h6,9H,1-5H2,(H,10,11)/t6-,8-/m0/s1
InChIKey
ORXMDDLMXZCQTH-XPUUQOCRSA-N
Compound name
2-[(1R,5R)-3-azabicyclo[3.2.0]heptan-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.7
[M+Na]+ 178.08386 139.5
[M-H]- 154.08736 134.8
[M+NH4]+ 173.12846 150.8
[M+K]+ 194.05780 140.1
[M+H-H2O]+ 138.09190 125.6
[M+HCOO]- 200.09284 150.7
[M+CH3COO]- 214.10849 173.5
[M+Na-2H]- 176.06931 138.9
[M]+ 155.09409 139.2
[M]- 155.09519 139.2
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.