CID 7019662

184685-17-4

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CC(C)(C)OC(=O)N[C@H](CC#N)C(=O)O
InChI
InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)11-6(4-5-10)7(12)13/h6H,4H2,1-3H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChIKey
IVKMLPKBZQTAMQ-ZCFIWIBFSA-N
Compound name
(2R)-3-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

214.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 150.5
[M+Na]+ 237.084568 157.0
[M-H]- 213.088074 149.9
[M+NH4]+ 232.129173 166.2
[M+K]+ 253.058508 158.0
[M+H-H2O]+ 197.092610 139.0
[M+HCOO]- 259.093551 166.5
[M+CH3COO]- 273.109201 198.6
[M+Na-2H]- 235.070016 152.5
[M]+ 214.09480142 146.5
[M]- 214.09589858 146.5
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