CID 122163855

2-azaspiro[3.3]heptane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CC2(C1)CNC2C(=O)O
InChI
InChI=1S/C7H11NO2/c9-6(10)5-7(4-8-5)2-1-3-7/h5,8H,1-4H2,(H,9,10)
InChIKey
MRDSCWQPHBCAGM-UHFFFAOYSA-N
Compound name
2-azaspiro[3.3]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.07898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 136.8
[M+Na]+ 164.06820 136.9
[M+NH4]+ 159.11280 137.5
[M+K]+ 180.04214 135.2
[M-H]- 140.07170 131.6
[M+Na-2H]- 162.05365 136.4
[M]+ 141.07843 133.0
[M]- 141.07953 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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