CID 134690680

Tert-butyl 3-amino-2-cyclobutylpropanoate

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)(C)OC(=O)C(CN)C1CCC1
InChI
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)9(7-12)8-5-4-6-8/h8-9H,4-7,12H2,1-3H3
InChIKey
IBSKPQSPTSJCFL-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-2-cyclobutylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.15723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 151.8
[M+Na]+ 222.146448 154.4
[M-H]- 198.149954 154.1
[M+NH4]+ 217.191053 163.9
[M+K]+ 238.120388 157.3
[M+H-H2O]+ 182.154490 140.8
[M+HCOO]- 244.155431 169.6
[M+CH3COO]- 258.171081 191.3
[M+Na-2H]- 220.131896 152.9
[M]+ 199.15668142 158.9
[M]- 199.15777858 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

No patent data available for this compound.