CID 80522466

2-(pyridin-3-yl)spiro[3.3]heptane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1CC2(C1)CC(C2)(C3=CN=CC=C3)C(=O)O
InChI
InChI=1S/C13H15NO2/c15-11(16)13(10-3-1-6-14-7-10)8-12(9-13)4-2-5-12/h1,3,6-7H,2,4-5,8-9H2,(H,15,16)
InChIKey
TWKLSSIIQVOEMG-UHFFFAOYSA-N
Compound name
2-pyridin-3-ylspiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 145.1
[M+Na]+ 240.09950 149.6
[M-H]- 216.10300 150.7
[M+NH4]+ 235.14410 152.0
[M+K]+ 256.07344 152.4
[M+H-H2O]+ 200.10754 130.8
[M+HCOO]- 262.10848 160.8
[M+CH3COO]- 276.12413 195.7
[M+Na-2H]- 238.08495 150.8
[M]+ 217.10973 158.8
[M]- 217.11083 158.8
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

No patent data available for this compound.