CID 83225894

Tert-butyl 2-amino-5,5-dimethylhexanoate

Structural Information

Molecular Formula
C12H25NO2
SMILES
CC(C)(C)CCC(C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H25NO2/c1-11(2,3)8-7-9(13)10(14)15-12(4,5)6/h9H,7-8,13H2,1-6H3
InChIKey
ZWLWKIMBIOMKAZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-5,5-dimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.18852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.195796 154.5
[M+Na]+ 238.177738 159.4
[M-H]- 214.181244 154.2
[M+NH4]+ 233.222343 173.2
[M+K]+ 254.151678 159.5
[M+H-H2O]+ 198.185780 150.2
[M+HCOO]- 260.186721 172.5
[M+CH3COO]- 274.202371 192.9
[M+Na-2H]- 236.163186 156.9
[M]+ 215.18797142 156.0
[M]- 215.18906858 156.0
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

No patent data available for this compound.