CID 18408959

1-(pyridin-3-yl)cyclopropane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1CC1(C2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C9H9NO2/c11-8(12)9(3-4-9)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,11,12)
InChIKey
HYEMICHUSHXQTM-UHFFFAOYSA-N
Compound name
1-pyridin-3-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

163.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 135.7
[M+Na]+ 186.05254 145.3
[M-H]- 162.05604 141.0
[M+NH4]+ 181.09714 151.2
[M+K]+ 202.02648 143.1
[M+H-H2O]+ 146.06058 129.6
[M+HCOO]- 208.06152 157.4
[M+CH3COO]- 222.07717 177.0
[M+Na-2H]- 184.03799 143.4
[M]+ 163.06277 137.3
[M]- 163.06387 137.3
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