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

92
Patents

173.1052 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 138.8
[M+Na]+ 196.094418 145.1
[M-H]- 172.097924 138.7
[M+NH4]+ 191.139023 158.7
[M+K]+ 212.068358 145.5
[M+H-H2O]+ 156.102460 134.2
[M+HCOO]- 218.103401 160.0
[M+CH3COO]- 232.119051 182.1
[M+Na-2H]- 194.079866 142.3
[M]+ 173.10465142 140.0
[M]- 173.10574858 140.0
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