CID 163333351

2460755-21-7

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC(C)(C)OC(=O)NCC#CC1=CC(=CN=C1)C(=O)O
InChI
InChI=1S/C14H16N2O4/c1-14(2,3)20-13(19)16-6-4-5-10-7-11(12(17)18)9-15-8-10/h7-9H,6H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
IXYRFZNHEMNSOO-UHFFFAOYSA-N
Compound name
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11828 163.5
[M+Na]+ 299.10022 172.1
[M+NH4]+ 294.14482 164.6
[M+K]+ 315.07416 165.8
[M-H]- 275.10372 154.2
[M+Na-2H]- 297.08567 163.7
[M]+ 276.11045 160.9
[M]- 276.11155 160.9
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.