CID 12085932

Tert-butyl 2-aminopentanoate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCC[C@@H](C(=O)OC(C)(C)C)N
InChI
InChI=1S/C9H19NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3/t7-/m0/s1
InChIKey
SGGQAQREPOYSME-ZETCQYMHSA-N
Compound name
tert-butyl (2S)-2-aminopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

173.14159 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.3
[M+Na]+ 196.13081 147.9
[M-H]- 172.13431 142.1
[M+NH4]+ 191.17541 162.4
[M+K]+ 212.10475 148.2
[M+H-H2O]+ 156.13885 137.7
[M+HCOO]- 218.13979 162.7
[M+CH3COO]- 232.15544 184.1
[M+Na-2H]- 194.11626 145.1
[M]+ 173.14104 143.1
[M]- 173.14214 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

literature stripe

Patent stripe

patents stripe