CID 54399069

Tert-butyl 2-(aminomethyl)-2-ethylbutanoate

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCC(CC)(CN)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H23NO2/c1-6-11(7-2,8-12)9(13)14-10(3,4)5/h6-8,12H2,1-5H3
InChIKey
VMCLIKGCSSRTJK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-2-ethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

201.17288 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 150.4
[M+Na]+ 224.16210 155.8
[M-H]- 200.16560 150.0
[M+NH4]+ 219.20670 169.5
[M+K]+ 240.13604 155.6
[M+H-H2O]+ 184.17014 146.0
[M+HCOO]- 246.17108 169.6
[M+CH3COO]- 260.18673 189.7
[M+Na-2H]- 222.14755 154.4
[M]+ 201.17233 152.1
[M]- 201.17343 152.1
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