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]+ 146.117556 132.5
[M+Na]+ 168.099498 139.2
[M-H]- 144.103004 133.1
[M+NH4]+ 163.144103 154.1
[M+K]+ 184.073438 139.8
[M+H-H2O]+ 128.107540 128.2
[M+HCOO]- 190.108481 155.2
[M+CH3COO]- 204.124131 177.8
[M+Na-2H]- 166.084946 138.7
[M]+ 145.10973142 134.3
[M]- 145.11082858 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