CID 83226128

Tert-butyl 2-aminooctanoate hydrochloride

Structural Information

Molecular Formula
C12H25NO2
SMILES
CCCCCCC(C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H25NO2/c1-5-6-7-8-9-10(13)11(14)15-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKey
LVVFBIZISWDATP-UHFFFAOYSA-N
Compound name
tert-butyl 2-aminooctanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.18852 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.195796 156.3
[M+Na]+ 238.177738 160.6
[M-H]- 214.181244 155.5
[M+NH4]+ 233.222343 174.7
[M+K]+ 254.151678 160.2
[M+H-H2O]+ 198.185780 151.1
[M+HCOO]- 260.186721 175.7
[M+CH3COO]- 274.202371 193.1
[M+Na-2H]- 236.163186 157.5
[M]+ 215.18797142 158.3
[M]- 215.18906858 158.3
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