CID 68111317

1243368-91-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

179.05824 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.065516 137.6
[M+Na]+ 202.047458 147.4
[M-H]- 178.050964 142.9
[M+NH4]+ 197.092063 150.8
[M+K]+ 218.021398 144.4
[M+H-H2O]+ 162.055500 130.6
[M+HCOO]- 224.056441 159.8
[M+CH3COO]- 238.072091 180.5
[M+Na-2H]- 200.032906 143.7
[M]+ 179.05769142 140.6
[M]- 179.05878858 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

patents stripe