CID 57247780

Tert-butyl 3-carbamoylpropanoate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)OC(=O)CCC(=O)N
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)5-4-6(9)10/h4-5H2,1-3H3,(H2,9,10)
InChIKey
DOFXZXIPZBUHDL-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

173.1052 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 139.0
[M+Na]+ 196.09442 146.3
[M+NH4]+ 191.13902 144.7
[M+K]+ 212.06836 143.8
[M-H]- 172.09792 136.5
[M+Na-2H]- 194.07987 140.4
[M]+ 173.10465 138.9
[M]- 173.10575 138.9
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