CID 39871623

6-aminospiro[3.3]heptane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H13NO2
SMILES
C1C(CC12CC(C2)N)C(=O)O
InChI
InChI=1S/C8H13NO2/c9-6-3-8(4-6)1-5(2-8)7(10)11/h5-6H,1-4,9H2,(H,10,11)
InChIKey
OJFMDXUWUKVTNA-UHFFFAOYSA-N
Compound name
2-aminospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

155.09464 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 131.6
[M+Na]+ 178.08386 134.9
[M-H]- 154.08736 135.3
[M+NH4]+ 173.12846 139.9
[M+K]+ 194.05780 139.4
[M+H-H2O]+ 138.09190 118.1
[M+HCOO]- 200.09284 148.4
[M+CH3COO]- 214.10849 189.0
[M+Na-2H]- 176.06931 134.9
[M]+ 155.09409 143.7
[M]- 155.09519 143.7
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

patents stripe