CID 65220536

Tert-butyl 2-(aminomethyl)butanoate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCC(CN)C(=O)OC(C)(C)C
InChI
InChI=1S/C9H19NO2/c1-5-7(6-10)8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3
InChIKey
BBYKVBSBWJNBCG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.3
[M+Na]+ 196.130808 147.9
[M-H]- 172.134314 142.1
[M+NH4]+ 191.175413 162.4
[M+K]+ 212.104748 148.2
[M+H-H2O]+ 156.138850 137.7
[M+HCOO]- 218.139791 162.7
[M+CH3COO]- 232.155441 184.1
[M+Na-2H]- 194.116256 145.1
[M]+ 173.14104142 143.1
[M]- 173.14213858 143.1
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

No patent data available for this compound.