CID 50999134

2-{[(tert-butoxy)carbonyl]amino}-2-(pyridin-2-yl)acetic acid

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=N1)C(=O)O
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9(10(15)16)8-6-4-5-7-13-8/h4-7,9H,1-3H3,(H,14,17)(H,15,16)
InChIKey
HOSQZYHLHUXAGN-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 156.8
[M+Na]+ 275.10023 161.7
[M-H]- 251.10373 157.5
[M+NH4]+ 270.14483 171.2
[M+K]+ 291.07417 161.1
[M+H-H2O]+ 235.10827 149.9
[M+HCOO]- 297.10921 175.4
[M+CH3COO]- 311.12486 192.8
[M+Na-2H]- 273.08568 160.6
[M]+ 252.11046 157.4
[M]- 252.11156 157.4
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.