CID 104324278

5-azaspiro[2.4]heptane-7-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC12CNCC2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)5-3-8-4-7(5)1-2-7/h5,8H,1-4H2,(H,9,10)
InChIKey
TWXWMEGIVQLEOG-UHFFFAOYSA-N
Compound name
5-azaspiro[2.4]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 131.7
[M+Na]+ 164.06820 140.4
[M-H]- 140.07170 134.3
[M+NH4]+ 159.11280 149.4
[M+K]+ 180.04214 137.6
[M+H-H2O]+ 124.07624 126.9
[M+HCOO]- 186.07718 149.9
[M+CH3COO]- 200.09283 169.9
[M+Na-2H]- 162.05365 136.4
[M]+ 141.07843 129.5
[M]- 141.07953 129.5
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