CID 2777439

Methyl 2-(tert-butylamino)acetate

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(C)(C)NCC(=O)OC
InChI
InChI=1S/C7H15NO2/c1-7(2,3)8-5-6(9)10-4/h8H,5H2,1-4H3
InChIKey
CYEJIYSGYKMEHD-UHFFFAOYSA-N
Compound name
methyl 2-(tert-butylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

145.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.5
[M+Na]+ 168.09950 139.2
[M-H]- 144.10300 133.1
[M+NH4]+ 163.14410 154.1
[M+K]+ 184.07344 139.8
[M+H-H2O]+ 128.10754 128.2
[M+HCOO]- 190.10848 155.2
[M+CH3COO]- 204.12413 177.8
[M+Na-2H]- 166.08495 138.7
[M]+ 145.10973 134.3
[M]- 145.11083 134.3
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