CID 10057754

97070-43-4

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CCOC(=O)C(CCC#N)N
InChI
InChI=1S/C7H12N2O2/c1-2-11-7(10)6(9)4-3-5-8/h6H,2-4,9H2,1H3
InChIKey
ASILPPKRZQUBAH-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-cyanobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

156.08987 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 135.6
[M+Na]+ 179.07909 143.3
[M+NH4]+ 174.12369 138.7
[M+K]+ 195.05303 136.5
[M-H]- 155.08259 127.3
[M+Na-2H]- 177.06454 135.5
[M]+ 156.08932 133.1
[M]- 156.09042 133.1
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