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]pyridin-2-yl]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]+ 267.13393 161.4
[M+Na]+ 289.11587 167.1
[M-H]- 265.11937 162.2
[M+NH4]+ 284.16047 175.6
[M+K]+ 305.08981 165.7
[M+H-H2O]+ 249.12391 154.4
[M+HCOO]- 311.12485 180.6
[M+CH3COO]- 325.14050 196.1
[M+Na-2H]- 287.10132 165.2
[M]+ 266.12610 163.3
[M]- 266.12720 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.