CID 11715255

Tert-butyl 2-acetamidoacetate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(=O)NCC(=O)OC(C)(C)C
InChI
InChI=1S/C8H15NO3/c1-6(10)9-5-7(11)12-8(2,3)4/h5H2,1-4H3,(H,9,10)
InChIKey
JNMRCHHHNJFCBU-UHFFFAOYSA-N
Compound name
tert-butyl 2-acetamidoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

173.1052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.5
[M+Na]+ 196.09442 144.8
[M-H]- 172.09792 139.0
[M+NH4]+ 191.13902 158.8
[M+K]+ 212.06836 145.6
[M+H-H2O]+ 156.10246 133.9
[M+HCOO]- 218.10340 160.3
[M+CH3COO]- 232.11905 182.1
[M+Na-2H]- 194.07987 143.1
[M]+ 173.10465 140.7
[M]- 173.10575 140.7
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