CID 15430260

Tert-butyl 3-amino-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(C)OC(=O)C(C)(C)CN
InChI
InChI=1S/C9H19NO2/c1-8(2,3)12-7(11)9(4,5)6-10/h6,10H2,1-5H3
InChIKey
MPMSYSWHOWKMSF-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

173.14159 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.0
[M+Na]+ 196.130808 147.3
[M-H]- 172.134314 141.0
[M+NH4]+ 191.175413 161.3
[M+K]+ 212.104748 147.6
[M+H-H2O]+ 156.138850 137.1
[M+HCOO]- 218.139791 160.9
[M+CH3COO]- 232.155441 183.6
[M+Na-2H]- 194.116256 146.1
[M]+ 173.14104142 142.0
[M]- 173.14213858 142.0
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