CID 5171899

Tert-butyl 2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate

Structural Information

Molecular Formula
C12H25NO3
SMILES
CC(C(C(=O)OC(C)(C)C)N)OC(C)(C)C
InChI
InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3
InChIKey
PPDIUNOGUIAFLV-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

231.18344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 156.6
[M+Na]+ 254.17266 161.2
[M-H]- 230.17616 156.3
[M+NH4]+ 249.21726 174.5
[M+K]+ 270.14660 162.4
[M+H-H2O]+ 214.18070 152.2
[M+HCOO]- 276.18164 173.9
[M+CH3COO]- 290.19729 195.9
[M+Na-2H]- 252.15811 158.0
[M]+ 231.18289 158.9
[M]- 231.18399 158.9
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