CID 45792313

Ethyl 2-[tert-butyl(2-cyanoethyl)amino]acetate

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CCOC(=O)CN(CCC#N)C(C)(C)C
InChI
InChI=1S/C11H20N2O2/c1-5-15-10(14)9-13(8-6-7-12)11(2,3)4/h5-6,8-9H2,1-4H3
InChIKey
YFZOFHLEBUKZBA-UHFFFAOYSA-N
Compound name
ethyl 2-[tert-butyl(2-cyanoethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 150.9
[M+Na]+ 235.14170 157.7
[M-H]- 211.14520 152.6
[M+NH4]+ 230.18630 168.3
[M+K]+ 251.11564 158.7
[M+H-H2O]+ 195.14974 138.9
[M+HCOO]- 257.15068 169.5
[M+CH3COO]- 271.16633 205.6
[M+Na-2H]- 233.12715 154.2
[M]+ 212.15193 149.9
[M]- 212.15303 149.9
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.