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]+ 200.16451 151.8
[M+Na]+ 222.14645 154.4
[M-H]- 198.14995 154.1
[M+NH4]+ 217.19105 163.9
[M+K]+ 238.12039 157.3
[M+H-H2O]+ 182.15449 140.8
[M+HCOO]- 244.15543 169.6
[M+CH3COO]- 258.17108 191.3
[M+Na-2H]- 220.13190 152.9
[M]+ 199.15668 158.9
[M]- 199.15778 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.