CID 75487710

1415819-86-1

Structural Information

Molecular Formula
C11H13NO4
SMILES
CC(C)(C)OC(=O)C1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C11H13NO4/c1-11(2,3)16-10(15)7-4-5-8(9(13)14)12-6-7/h4-6H,1-3H3,(H,13,14)
InChIKey
NPQFJFVPQZHGRD-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

223.08446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.3
[M+Na]+ 246.07368 154.9
[M-H]- 222.07718 148.7
[M+NH4]+ 241.11828 163.7
[M+K]+ 262.04762 153.9
[M+H-H2O]+ 206.08172 141.3
[M+HCOO]- 268.08266 166.3
[M+CH3COO]- 282.09831 185.7
[M+Na-2H]- 244.05913 151.9
[M]+ 223.08391 149.5
[M]- 223.08501 149.5
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