CID 50989633

2243513-07-5

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1CC2CC2C(C1)(C(=O)O)N
InChI
InChI=1S/C8H13NO2/c9-8(7(10)11)3-1-2-5-4-6(5)8/h5-6H,1-4,9H2,(H,10,11)
InChIKey
QNXAZDGQFJIRLB-UHFFFAOYSA-N
Compound name
2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 133.5
[M+Na]+ 178.08386 143.9
[M+NH4]+ 173.12846 143.8
[M+K]+ 194.05780 139.2
[M-H]- 154.08736 141.6
[M+Na-2H]- 176.06931 140.5
[M]+ 155.09409 138.2
[M]- 155.09519 138.2
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.