CID 137944232

2287318-53-8

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C2CC(C1CNC2)C(=O)O
InChI
InChI=1S/C8H13NO2/c10-8(11)7-2-5-1-6(7)4-9-3-5/h5-7,9H,1-4H2,(H,10,11)
InChIKey
YQOVXGBTMJWJPD-UHFFFAOYSA-N
Compound name
3-azabicyclo[3.2.1]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.8
[M+Na]+ 178.08386 139.3
[M-H]- 154.08736 132.0
[M+NH4]+ 173.12846 155.3
[M+K]+ 194.05780 136.8
[M+H-H2O]+ 138.09190 128.9
[M+HCOO]- 200.09284 148.6
[M+CH3COO]- 214.10849 171.0
[M+Na-2H]- 176.06931 137.4
[M]+ 155.09409 127.8
[M]- 155.09519 127.8
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.