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

193
Patents

214.09535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.10263 150.5
[M+Na]+ 237.08457 157.0
[M-H]- 213.08807 149.9
[M+NH4]+ 232.12917 166.2
[M+K]+ 253.05851 158.0
[M+H-H2O]+ 197.09261 139.0
[M+HCOO]- 259.09355 166.5
[M+CH3COO]- 273.10920 198.6
[M+Na-2H]- 235.07002 152.5
[M]+ 214.09480 146.5
[M]- 214.09590 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