CID 11514590

394735-22-9

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)NC(CC1CCC1)C(C(=O)N)O
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-9(10(16)11(14)17)7-8-5-4-6-8/h8-10,16H,4-7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKey
KCDNFVJMBIUAFE-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

272.1736 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 173.9
[M+Na]+ 295.16282 173.0
[M-H]- 271.16632 174.0
[M+NH4]+ 290.20742 181.1
[M+K]+ 311.13676 176.8
[M+H-H2O]+ 255.17086 161.0
[M+HCOO]- 317.17180 188.6
[M+CH3COO]- 331.18745 204.2
[M+Na-2H]- 293.14827 170.7
[M]+ 272.17305 179.3
[M]- 272.17415 179.3
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