CID 25116526

6-(cyclopropylmethoxy)nicotinic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CC1COC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-10(13)8-3-4-9(11-5-8)14-6-7-1-2-7/h3-5,7H,1-2,6H2,(H,12,13)
InChIKey
QKESUAZALAOHJO-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

193.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.9
[M+Na]+ 216.06312 151.2
[M-H]- 192.06662 146.9
[M+NH4]+ 211.10772 154.5
[M+K]+ 232.03706 148.0
[M+H-H2O]+ 176.07116 134.6
[M+HCOO]- 238.07210 163.7
[M+CH3COO]- 252.08775 183.4
[M+Na-2H]- 214.04857 147.5
[M]+ 193.07335 145.2
[M]- 193.07445 145.2
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