CID 11744994

6-(ethylamino)pyridine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCNC1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-2-9-7-4-3-6(5-10-7)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKey
SDLJJCXFXNLGDB-UHFFFAOYSA-N
Compound name
6-(ethylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

94
Patents

166.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.6
[M+Na]+ 189.063448 141.0
[M-H]- 165.066954 134.8
[M+NH4]+ 184.108053 151.8
[M+K]+ 205.037388 139.1
[M+H-H2O]+ 149.071490 127.0
[M+HCOO]- 211.072431 156.3
[M+CH3COO]- 225.088081 178.3
[M+Na-2H]- 187.048896 140.2
[M]+ 166.07368142 132.9
[M]- 166.07477858 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe