CID 82594230

2248401-32-1

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C(CC12CC2C(=O)O)N
InChI
InChI=1S/C7H11NO2/c8-4-1-7(2-4)3-5(7)6(9)10/h4-5H,1-3,8H2,(H,9,10)
InChIKey
ZIUJCJRJCYZVPM-UHFFFAOYSA-N
Compound name
5-aminospiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.07898 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 128.2
[M+Na]+ 164.068198 136.0
[M-H]- 140.071704 133.6
[M+NH4]+ 159.112803 140.0
[M+K]+ 180.042138 136.9
[M+H-H2O]+ 124.076240 119.4
[M+HCOO]- 186.077181 148.3
[M+CH3COO]- 200.092831 180.3
[M+Na-2H]- 162.053646 133.4
[M]+ 141.07843142 136.0
[M]- 141.07952858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe