CID 18755349

954225-54-8

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CC=N1
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(8-11(16)17)9-6-4-5-7-14-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
VGHPUFIBMDVHCT-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

266.12665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 160.8
[M+Na]+ 289.11587 168.6
[M+NH4]+ 284.16047 165.1
[M+K]+ 305.08981 166.4
[M-H]- 265.11937 159.0
[M+Na-2H]- 287.10132 163.9
[M]+ 266.12610 160.9
[M]- 266.12720 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

patents stripe