CID 57449685

2260937-62-8

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)NC(CC1CCOCC1)C=O
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-11(9-15)8-10-4-6-17-7-5-10/h9-11H,4-8H2,1-3H3,(H,14,16)
InChIKey
XWBNKEIPCHGFMT-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(oxan-4-yl)-3-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.16272 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 161.6
[M+Na]+ 280.15194 163.9
[M-H]- 256.15544 164.4
[M+NH4]+ 275.19654 176.5
[M+K]+ 296.12588 164.9
[M+H-H2O]+ 240.15998 155.3
[M+HCOO]- 302.16092 178.4
[M+CH3COO]- 316.17657 196.0
[M+Na-2H]- 278.13739 164.6
[M]+ 257.16217 161.0
[M]- 257.16327 161.0
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