CID 39872244

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

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1C(CC12CNC2)C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)5-1-7(2-5)3-8-4-7/h5,8H,1-4H2,(H,9,10)
InChIKey
ACGZSACKMXZHNC-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

88
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 126.5
[M+Na]+ 164.06820 130.2
[M-H]- 140.07170 128.1
[M+NH4]+ 159.11280 133.9
[M+K]+ 180.04214 134.2
[M+H-H2O]+ 124.07624 113.1
[M+HCOO]- 186.07718 141.0
[M+CH3COO]- 200.09283 181.7
[M+Na-2H]- 162.05365 131.4
[M]+ 141.07843 138.4
[M]- 141.07953 138.4
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