CID 72227438

5-cyclopropoxynicotinic acid

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1CC1OC2=CN=CC(=C2)C(=O)O
InChI
InChI=1S/C9H9NO3/c11-9(12)6-3-8(5-10-4-6)13-7-1-2-7/h3-5,7H,1-2H2,(H,11,12)
InChIKey
CCQPOUSMAWMBAL-UHFFFAOYSA-N
Compound name
5-cyclopropyloxypyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 137.6
[M+Na]+ 202.04746 147.4
[M-H]- 178.05096 142.9
[M+NH4]+ 197.09206 150.8
[M+K]+ 218.02140 144.4
[M+H-H2O]+ 162.05550 130.6
[M+HCOO]- 224.05644 159.8
[M+CH3COO]- 238.07209 180.5
[M+Na-2H]- 200.03291 143.7
[M]+ 179.05769 140.6
[M]- 179.05879 140.6
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.