CID 12466628

Tert-butyl 2-amino-2-cyanoacetate

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(C)(C)OC(=O)C(C#N)N
InChI
InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)5(9)4-8/h5H,9H2,1-3H3
InChIKey
JHQVNOCQCUQVLR-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-2-cyanoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

156.08987 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 135.4
[M+Na]+ 179.07909 142.9
[M+NH4]+ 174.12369 138.4
[M+K]+ 195.05303 137.2
[M-H]- 155.08259 126.6
[M+Na-2H]- 177.06454 135.3
[M]+ 156.08932 132.8
[M]- 156.09042 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe