CID 53229431

1261913-25-0

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C(N=C(C=C2)N)C(=O)O
InChI
InChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20)
InChIKey
IZXQXFLABGLKCR-UHFFFAOYSA-N
Compound name
6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 164.1
[M+Na]+ 293.12606 171.8
[M-H]- 269.12956 168.4
[M+NH4]+ 288.17066 178.3
[M+K]+ 309.10000 167.6
[M+H-H2O]+ 253.13410 156.6
[M+HCOO]- 315.13504 183.4
[M+CH3COO]- 329.15069 199.9
[M+Na-2H]- 291.11151 167.5
[M]+ 270.13629 163.0
[M]- 270.13739 163.0
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.