CID 165889816

2385409-55-0

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)CCC(=O)O
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10-5-4-9(14-8-10)6-7-11(16)17/h4-5,8H,6-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
ORAZHHBTOWGUMK-UHFFFAOYSA-N
Compound name
3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.4
[M+Na]+ 289.115868 167.1
[M-H]- 265.119374 162.2
[M+NH4]+ 284.160473 175.6
[M+K]+ 305.089808 165.7
[M+H-H2O]+ 249.123910 154.4
[M+HCOO]- 311.124851 180.6
[M+CH3COO]- 325.140501 196.1
[M+Na-2H]- 287.101316 165.2
[M]+ 266.12610142 163.3
[M]- 266.12719858 163.3
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.